1-methyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-methyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-methyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-methyl-4-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-methyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-methyl-4-[4-[4-(methylthio)benzyl]piperazino]pyrazolo[3,4-d]pyrimidine Formula: C18H22N6S MolecularWeight: 354.47248

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CC=C(C=C4)SC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C18H22N6S/c1-22-17-16(11-21-22)18(20-13-19-17)24-9-7-23(8-10-24)12-14-3-5-15(25-2)6-4-14/h3-6,11,13H,7-10,12H2,1-2H3