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

Systemtic Name: 5-azanyl-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-amino-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-amino-6-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propylthio]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-amino-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-amino-6-[3-[4-(2-methoxyphenyl)piperazino]propylthio]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H27N7O2S MolecularWeight: 429.53908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C(=N2)SCCCN3CCN(CC3)C4=CC=CC=C4OC)N

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C(=N2)SCCCN3CCN(CC3)C4=CC=CC=C4OC)N

InChI

InChI=1S/C20H27N7O2S/c1-24-18-15(14-22-24)19(28)27(21)20(23-18)30-13-5-8-25-9-11-26(12-10-25)16-6-3-4-7-17(16)29-2/h3-4,6-7,14H,5,8-13,21H2,1-2H3