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

Systemtic Name: 1,3-dimethyl-7-[2-(4-oxidanylidenequinazolin-3-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(4-oxoquinazolin-3-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-oxo-3-quinazolinyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-oxoquinazolin-3-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-(4-ketoquinazolin-3-yl)ethyl]-1,3-dimethyl-xanthine Formula: C17H16N6O3 MolecularWeight: 352.34734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C17H16N6O3/c1-20-14-13(16(25)21(2)17(20)26)22(10-19-14)7-8-23-9-18-12-6-4-3-5-11(12)15(23)24/h3-6,9-10H,7-8H2,1-2H3