1,3-dimethyl-6-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[(4-oxidanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]methyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanylmethyl]pyrimidine-2,4-dione Traditional Name: 6-[[(4-keto-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)thio]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C12H12N6O3S MolecularWeight: 320.32708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CSC2=NC(=O)C3=CNNC3=N2

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CSC2=NC(=O)C3=CNNC3=N2

InChI

InChI=1S/C12H12N6O3S/c1-17-6(3-8(19)18(2)12(17)21)5-22-11-14-9-7(4-13-16-9)10(20)15-11/h3-4H,5H2,1-2H3,(H2,13,14,15,16,20)