2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[1-(2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[[1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C24H24N6OS MolecularWeight: 444.55196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C24H24N6OS/c1-17-6-2-3-7-21(17)30-23-20(14-27-30)24(26-16-25-23)32-15-22(31)28-18-8-10-19(11-9-18)29-12-4-5-13-29/h2-3,6-11,14,16H,4-5,12-13,15H2,1H3,(H,28,31)