1-ethanoyl-3-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-ethanoyl-3-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-acetyl-3-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-acetyl-3-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-acetyl-3-[4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-acetyl-3-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H20N6O4S MolecularWeight: 500.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC(=NC(=C12)C3=CC=C(C=C3)OC)N4C(=O)CC(=O)N(C4=S)C(=O)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=NC(=NC(=C12)C3=CC=C(C=C3)OC)N4C(=O)CC(=O)N(C4=S)C(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C25H20N6O4S/c1-14-21-22(16-9-11-18(35-3)12-10-16)26-24(27-23(21)31(28-14)17-7-5-4-6-8-17)30-20(34)13-19(33)29(15(2)32)25(30)36/h4-12H,13H2,1-3H3