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

Systemtic Name: 2-[(4-dimethylaminophenyl)methyl]-5-methyl-7-(2-methylpropyl)-3-phenylazanyl-4-sulfanylidene-pyrazolo[3,4-d]pyrimidin-6-one Openeye Name: 3-anilino-2-[(4-dimethylaminophenyl)methyl]-7-isobutyl-5-methyl-4-thioxo-pyrazolo[3,4-d]pyrimidin-6-one CAS Name: 3-anilino-2-[(4-dimethylaminophenyl)methyl]-5-methyl-7-(2-methylpropyl)-4-sulfanylidene-6-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-anilino-2-[(4-dimethylaminophenyl)methyl]-5-methyl-7-(2-methylpropyl)-4-sulfanylidenepyrazolo[3,4-d]pyrimidin-6-one Traditional Name: 3-anilino-2-[4-(dimethylamino)benzyl]-7-isobutyl-5-methyl-4-thioxo-pyrazolo[3,4-d]pyrimidin-6-one Formula: C25H30N6OS MolecularWeight: 462.6103

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N6OS/c1-17(2)15-30-23-21(24(33)29(5)25(30)32)22(26-19-9-7-6-8-10-19)31(27-23)16-18-11-13-20(14-12-18)28(3)4/h6-14,17,26H,15-16H2,1-5H3