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

Systemtic Name: 5-methyl-7-(2-methylpropyl)-2-[(4-methylsulfonylphenyl)methyl]-3-phenylazanyl-4H-pyrazolo[3,4-d]pyrimidin-6-one Openeye Name: 3-anilino-7-isobutyl-5-methyl-2-[(4-methylsulfonylphenyl)methyl]-4H-pyrazolo[3,4-d]pyrimidin-6-one CAS Name: 3-anilino-5-methyl-7-(2-methylpropyl)-2-[(4-methylsulfonylphenyl)methyl]-4H-pyrazolo[3,4-d]pyrimidin-6-one IUPAC Name: 3-anilino-5-methyl-7-(2-methylpropyl)-2-[(4-methylsulfonylphenyl)methyl]-4H-pyrazolo[3,4-d]pyrimidin-6-one Traditional Name: 3-anilino-7-isobutyl-2-(4-mesylbenzyl)-5-methyl-4H-pyrazolo[3,4-d]pyrimidin-6-one Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=NN(C(=C2CN(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)CN1C2=NN(C(=C2CN(C1=O)C)NC3=CC=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H29N5O3S/c1-17(2)14-28-23-21(16-27(3)24(28)30)22(25-19-8-6-5-7-9-19)29(26-23)15-18-10-12-20(13-11-18)33(4,31)32/h5-13,17,25H,14-16H2,1-4H3