1,3-dimethyl-9-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-9-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-9-[(2-methyl-4-oxo-quinazolin-3-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-9-[(2-methyl-4-oxo-3-quinazolinyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-9-[(2-methyl-4-oxoquinazolin-3-yl)methyl]purine-2,6-dione Traditional Name: 9-[(4-keto-2-methyl-quinazolin-3-yl)methyl]-1,3-dimethyl-xanthine Formula: C17H16N6O3 MolecularWeight: 352.34734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CN3C=NC4=C3N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CN3C=NC4=C3N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C17H16N6O3/c1-10-19-12-7-5-4-6-11(12)15(24)23(10)9-22-8-18-13-14(22)20(2)17(26)21(3)16(13)25/h4-8H,9H2,1-3H3