Name: Name:2,4-Cyclohexadien-1-one, 6-[4-amino-1-(1,1-dimethylethyl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-ylidene]-, (6Z)-
Brand: Angene
SKU: AG0008AQ
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2,4-Cyclohexadien-1-one, 6-[4-amino-1-(1,1-dimethylethyl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-ylidene]-, (6Z)-

CAS No.:

1027572-46-8

Catalog Number:

AG0008AQ

Molecular Formula:

C15H17N5O

Molecular Weight:

283.3284

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Product Description

Catalog Number:

AG0008AQ

Chemical Name:

2,4-Cyclohexadien-1-one, 6-[4-amino-1-(1,1-dimethylethyl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-ylidene]-, (6Z)-

CAS Number:

1027572-46-8

Molecular Formula:

C15H17N5O

Molecular Weight:

283.3284

MDL Number:

MFCD16251181

IUPAC Name:

2-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)phenol

InChI:

InChI=1S/C15H17N5O/c1-15(2,3)20-14-11(13(16)17-8-18-14)12(19-20)9-6-4-5-7-10(9)21/h4-8,21H,1-3H3,(H2,16,17,18)

InChI Key:

CPZBAYHPGAUAKO-UHFFFAOYSA-N

SMILES:

O=C1C=CC=C/C/1=c\1/[nH]n(c2c1c(N)ncn2)C(C)(C)C

Properties

Complexity:

372

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

283.143g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

283.335g/mol

Monoisotopic Mass:

283.143g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Carbonyl reductase 1 is a predominant doxorubicin reductase in the human liver.	Drug metabolism and disposition: the biological fate of chemicals 20081001