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

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(3-chloro-4-methyl-phenyl)-6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(3-chloro-4-methylphenyl)-6-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(3-chloro-4-methylphenyl)-6-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(3-chloro-4-methyl-phenyl)-6-[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H25ClN6O3S MolecularWeight: 525.0224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)N4CCN(CC4)C5=CC=C(C=C5)OC)Cl

InChI

InChI=1S/C25H25ClN6O3S/c1-16-3-4-18(13-21(16)26)32-24(34)20-14-27-29-23(20)28-25(32)36-15-22(33)31-11-9-30(10-12-31)17-5-7-19(35-2)8-6-17/h3-8,13-14H,9-12,15H2,1-2H3,(H,27,29)