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

Systemtic Name: 1,3-dimethyl-7-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]purine-2,6-dione Traditional Name: 7-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C14H12N6O3S MolecularWeight: 344.34848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C14H12N6O3S/c1-18-11-9(13(22)19(2)14(18)23)20(6-15-11)5-8-16-7-3-4-24-10(7)12(21)17-8/h3-4,6H,5H2,1-2H3,(H,16,17,21)