2-[4-azanyl-3-methyl-5-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-butan-1-one

Systemtic Name: 2-[4-azanyl-3-methyl-5-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 2-[4-amino-3-methyl-5-(o-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-butan-1-one CAS Name: 2-[[4-amino-3-methyl-5-(2-methylphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 2-[4-amino-3-methyl-5-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 2-[[4-amino-3-methyl-5-(o-tolyl)pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-pyrrolidino-butan-1-one Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCC1)SC2=NC3=NN=C(C3=C(N2C4=CC=CC=C4C)N)C

Isomeric SMILES

CCC(C(=O)N1CCCC1)SC2=NC3=NN=C(C3=C(N2C4=CC=CC=C4C)N)C

InChI

InChI=1S/C21H26N6OS/c1-4-16(20(28)26-11-7-8-12-26)29-21-23-19-17(14(3)24-25-19)18(22)27(21)15-10-6-5-9-13(15)2/h5-6,9-10,16H,4,7-8,11-12,22H2,1-3H3