5-methyl-7-(2-methylpropyl)-2-[(4-methylsulfonylphenyl)methyl]-3-phenylsulfanyl-pyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 5-methyl-7-(2-methylpropyl)-2-[(4-methylsulfonylphenyl)methyl]-3-phenylsulfanyl-pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 7-isobutyl-5-methyl-2-[(4-methylsulfonylphenyl)methyl]-3-phenylsulfanyl-pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 5-methyl-7-(2-methylpropyl)-2-[(4-methylsulfonylphenyl)methyl]-3-(phenylthio)pyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 5-methyl-7-(2-methylpropyl)-2-[(4-methylsulfonylphenyl)methyl]-3-phenylsulfanylpyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 7-isobutyl-2-(4-mesylbenzyl)-5-methyl-3-(phenylthio)pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C24H26N4O4S2 MolecularWeight: 498.61764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=NN(C(=C2C(=O)N(C1=O)C)SC3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)CN1C2=NN(C(=C2C(=O)N(C1=O)C)SC3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H26N4O4S2/c1-16(2)14-27-21-20(22(29)26(3)24(27)30)23(33-18-8-6-5-7-9-18)28(25-21)15-17-10-12-19(13-11-17)34(4,31)32/h5-13,16H,14-15H2,1-4H3