Name: Name:4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine-3(5H)-acetic acid, 6,7-dihydro-4-oxo-,1,1-dimethylethyl ester Key Physical Properties
Brand: Angene
SKU: AG019EZT
Rating: 90 (10 reviews)

4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine-3(5H)-acetic acid, 6,7-dihydro-4-oxo-,1,1-dimethylethyl ester Key Physical Properties

CAS No.:

1003209-11-7

Catalog Number:

AG019EZT

Molecular Formula:

C15H18N2O3S

Molecular Weight:

306.3800

Catalog Number:

AG019EZT

Chemical Name:

4H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine-3(5H)-acetic acid, 6,7-dihydro-4-oxo-,1,1-dimethylethyl ester Key Physical Properties

CAS Number:

1003209-11-7

Molecular Formula:

C15H18N2O3S

Molecular Weight:

306.3800

MDL Number:

MFCD07006495

IUPAC Name:

tert-butyl 2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetate

InChI:

InChI=1S/C15H18N2O3S/c1-15(2,3)20-11(18)7-17-8-16-13-12(14(17)19)9-5-4-6-10(9)21-13/h8H,4-7H2,1-3H3

InChI Key:

DPIKNCKYGPUTAI-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)Cn1cnc2c(c1=O)c1CCCc1s2

Complexity:

486

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

306.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

306.38g/mol

Monoisotopic Mass:

306.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5