2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(1-oxidanylpropan-2-yl)-3-phenylazanyl-4-sulfanylidene-pyrazolo[3,4-d]pyrimidin-6-one

Systemtic Name: 2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(1-oxidanylpropan-2-yl)-3-phenylazanyl-4-sulfanylidene-pyrazolo[3,4-d]pyrimidin-6-one Openeye Name: 3-anilino-7-(2-hydroxy-1-methyl-ethyl)-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-4-thioxo-pyrazolo[3,4-d]pyrimidin-6-one CAS Name: 3-anilino-7-(1-hydroxypropan-2-yl)-2-[[4-(1-imidazolyl)phenyl]methyl]-5-methyl-4-sulfanylidene-6-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-anilino-7-(1-hydroxypropan-2-yl)-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-4-sulfanylidenepyrazolo[3,4-d]pyrimidin-6-one Traditional Name: 3-anilino-7-(2-hydroxy-1-methyl-ethyl)-2-(4-imidazol-1-ylbenzyl)-5-methyl-4-thioxo-pyrazolo[3,4-d]pyrimidin-6-one Formula: C25H25N7O2S MolecularWeight: 487.5767

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N1C2=NN(C(=C2C(=S)N(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

CC(CO)N1C2=NN(C(=C2C(=S)N(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C25H25N7O2S/c1-17(15-33)32-23-21(24(35)29(2)25(32)34)22(27-19-6-4-3-5-7-19)31(28-23)14-18-8-10-20(11-9-18)30-13-12-26-16-30/h3-13,16-17,27,33H,14-15H2,1-2H3