Name: Name:2-(3,7-dibenzyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetic acid
Brand: Angene
SKU: AG019ISW
Rating: 90 (10 reviews)

2-(3,7-dibenzyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetic acid

CAS No.:

721407-67-6

Catalog Number:

AG019ISW

Molecular Formula:

C21H18N4O4

Molecular Weight:

390.3920

Catalog Number:

AG019ISW

Chemical Name:

2-(3,7-dibenzyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetic acid

CAS Number:

721407-67-6

Molecular Formula:

C21H18N4O4

Molecular Weight:

390.3920

MDL Number:

MFCD03951046

IUPAC Name:

2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)acetic acid

InChI:

InChI=1S/C21H18N4O4/c26-17(27)13-25-20(28)18-19(22-14-23(18)11-15-7-3-1-4-8-15)24(21(25)29)12-16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,26,27)

InChI Key:

SBPCVHSIKOVVDH-UHFFFAOYSA-N

SMILES:

OC(=O)Cn1c(=O)c2n(cnc2n(c1=O)Cc1ccccc1)Cc1ccccc1

Complexity:

630

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

390.133g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

390.399g/mol

Monoisotopic Mass:

390.133g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3