1,3-dimethyl-7-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(4-oxo-1H-quinazolin-2-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-oxo-1H-quinazolin-2-yl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-oxo-1H-quinazolin-2-yl)methyl]purine-2,6-dione Traditional Name: 7-[(4-keto-1H-quinazolin-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C16H14N6O3 MolecularWeight: 338.32076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C16H14N6O3/c1-20-13-12(15(24)21(2)16(20)25)22(8-17-13)7-11-18-10-6-4-3-5-9(10)14(23)19-11/h3-6,8H,7H2,1-2H3,(H,18,19,23)