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

Systemtic Name: 1,3-dimethyl-7-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]purine-2,6-dione Traditional Name: 7-[1-(4-keto-1H-quinazolin-2-yl)ethyl]-1,3-dimethyl-xanthine Formula: C17H16N6O3 MolecularWeight: 352.34734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)N3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)N3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

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