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

Systemtic Name: 2-[4-azanyl-5-(3-chlorophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 2-[4-amino-5-(3-chlorophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-butan-1-one CAS Name: 2-[[4-amino-5-(3-chlorophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 2-[4-amino-5-(3-chlorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 2-[[4-amino-5-(3-chlorophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-pyrrolidino-butan-1-one Formula: C20H23ClN6OS MolecularWeight: 430.95422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCC1)SC2=NC3=NN=C(C3=C(N2C4=CC(=CC=C4)Cl)N)C

Isomeric SMILES

CCC(C(=O)N1CCCC1)SC2=NC3=NN=C(C3=C(N2C4=CC(=CC=C4)Cl)N)C

InChI

InChI=1S/C20H23ClN6OS/c1-3-15(19(28)26-9-4-5-10-26)29-20-23-18-16(12(2)24-25-18)17(22)27(20)14-8-6-7-13(21)11-14/h6-8,11,15H,3-5,9-10,22H2,1-2H3