2-chloranyl-3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-7-methylsulfanyl-quinoline

Systemtic Name: 2-chloranyl-3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-7-methylsulfanyl-quinoline Openeye Name: 2-chloro-3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-7-methylsulfanyl-quinoline CAS Name: 2-chloro-3-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]-7-(methylthio)quinoline IUPAC Name: 2-chloro-3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-7-methylsulfanylquinoline Traditional Name: 2-chloro-3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]-7-(methylthio)quinoline Formula: C21H22ClN7S MolecularWeight: 439.96428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=C(N=C5C=C(C=CC5=C4)SC)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=C(N=C5C=C(C=CC5=C4)SC)Cl

InChI

InChI=1S/C21H22ClN7S/c1-27-20-17(11-25-27)21(24-13-23-20)29-7-5-28(6-8-29)12-15-9-14-3-4-16(30-2)10-18(14)26-19(15)22/h3-4,9-11,13H,5-8,12H2,1-2H3