Name: Name:Acetic acid,2-[(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]-
Brand: Angene
SKU: AG004YOG
Rating: 90 (10 reviews)

Acetic acid,2-[(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]-

CAS No.:

82331-12-2

Catalog Number:

AG004YOG

Molecular Formula:

C9H10N4O4S

Molecular Weight:

270.2651

Catalog Number:

AG004YOG

Chemical Name:

Acetic acid,2-[(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]-

CAS Number:

82331-12-2

Molecular Formula:

C9H10N4O4S

Molecular Weight:

270.2651

MDL Number:

MFCD00549959

IUPAC Name:

2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetic acid

InChI:

InChI=1S/C9H10N4O4S/c1-12-6-5(7(16)13(2)9(12)17)10-8(11-6)18-3-4(14)15/h3H2,1-2H3,(H,10,11)(H,14,15)

InChI Key:

POFPCVGHSQJKRW-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

NSC Number:

23591

Complexity:

404

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

270.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.263g/mol

Monoisotopic Mass:

270.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

132A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4