6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5-naphthalen-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5-naphthalen-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-5-(1-naphthyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-5-(1-naphthalenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-5-naphthalen-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]-5-(1-naphthyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C28H26N6O3S MolecularWeight: 526.60944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC6=CC=CC=C65

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C28H26N6O3S/c1-37-21-11-9-20(10-12-21)32-13-15-33(16-14-32)25(35)18-38-28-30-26-23(17-29-31-26)27(36)34(28)24-8-4-6-19-5-2-3-7-22(19)24/h2-12,17H,13-16,18H2,1H3,(H,29,31)