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

Systemtic Name: 2-[4-azanyl-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 2-[4-amino-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-yl-butan-1-one CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 2-[4-amino-5-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-pyrrolidino-butan-1-one Formula: C21H26N6O2S MolecularWeight: 426.53514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O2S/c1-4-16(20(28)26-11-5-6-12-26)30-21-23-19-17(13(2)24-25-19)18(22)27(21)14-7-9-15(29-3)10-8-14/h7-10,16H,4-6,11-12,22H2,1-3H3