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

Systemtic Name: 5-(2-methoxyphenyl)-6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(2-methoxyphenyl)-6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2-methoxyphenyl)-6-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(2-methoxyphenyl)-6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]-5-(2-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H26N6O4S MolecularWeight: 506.57674

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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=CC=C5OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=C(C=NN4)C(=O)N3C5=CC=CC=C5OC

InChI

InChI=1S/C25H26N6O4S/c1-34-18-9-7-17(8-10-18)29-11-13-30(14-12-29)22(32)16-36-25-27-23-19(15-26-28-23)24(33)31(25)20-5-3-4-6-21(20)35-2/h3-10,15H,11-14,16H2,1-2H3,(H,26,28)