2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(1-oxidanylpropan-2-yl)-3-phenylsulfanyl-pyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(1-oxidanylpropan-2-yl)-3-phenylsulfanyl-pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 7-(2-hydroxy-1-methyl-ethyl)-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-3-phenylsulfanyl-pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 7-(1-hydroxypropan-2-yl)-2-[[4-(1-imidazolyl)phenyl]methyl]-5-methyl-3-(phenylthio)pyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 7-(1-hydroxypropan-2-yl)-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-3-phenylsulfanylpyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 7-(2-hydroxy-1-methyl-ethyl)-2-(4-imidazol-1-ylbenzyl)-5-methyl-3-(phenylthio)pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C25H24N6O3S MolecularWeight: 488.56146

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N1C2=NN(C(=C2C(=O)N(C1=O)C)SC3=CC=CC=C3)CC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

CC(CO)N1C2=NN(C(=C2C(=O)N(C1=O)C)SC3=CC=CC=C3)CC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C25H24N6O3S/c1-17(15-32)31-22-21(23(33)28(2)25(31)34)24(35-20-6-4-3-5-7-20)30(27-22)14-18-8-10-19(11-9-18)29-13-12-26-16-29/h3-13,16-17,32H,14-15H2,1-2H3