5-methyl-7-(2-methylpropyl)-3-phenylazanyl-2-[(4-pyridin-2-ylphenyl)methyl]-4-sulfanylidene-pyrazolo[3,4-d]pyrimidin-6-one

Systemtic Name: 5-methyl-7-(2-methylpropyl)-3-phenylazanyl-2-[(4-pyridin-2-ylphenyl)methyl]-4-sulfanylidene-pyrazolo[3,4-d]pyrimidin-6-one Openeye Name: 3-anilino-7-isobutyl-5-methyl-2-[[4-(2-pyridyl)phenyl]methyl]-4-thioxo-pyrazolo[3,4-d]pyrimidin-6-one CAS Name: 3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(2-pyridinyl)phenyl]methyl]-4-sulfanylidene-6-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-anilino-5-methyl-7-(2-methylpropyl)-2-[(4-pyridin-2-ylphenyl)methyl]-4-sulfanylidenepyrazolo[3,4-d]pyrimidin-6-one Traditional Name: 3-anilino-7-isobutyl-5-methyl-2-[4-(2-pyridyl)benzyl]-4-thioxo-pyrazolo[3,4-d]pyrimidin-6-one Formula: C28H28N6OS MolecularWeight: 496.62652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=NN(C(=C2C(=S)N(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=CC=N5

Isomeric SMILES

CC(C)CN1C2=NN(C(=C2C(=S)N(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=CC=N5

InChI

InChI=1S/C28H28N6OS/c1-19(2)17-33-26-24(27(36)32(3)28(33)35)25(30-22-9-5-4-6-10-22)34(31-26)18-20-12-14-21(15-13-20)23-11-7-8-16-29-23/h4-16,19,30H,17-18H2,1-3H3