3-(2-chlorophenyl)-7-(phenylmethylsulfanyl)-1-piperidin-4-yl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-chlorophenyl)-7-(phenylmethylsulfanyl)-1-piperidin-4-yl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-benzylsulfanyl-3-(2-chlorophenyl)-1-(4-piperidyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chlorophenyl)-7-(phenylmethylthio)-1-(4-piperidinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-benzylsulfanyl-3-(2-chlorophenyl)-1-piperidin-4-yl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-(benzylthio)-3-(2-chlorophenyl)-1-(4-piperidyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C24H24ClN5OS MolecularWeight: 465.99826

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C3=NC(=NC=C3CN(C2=O)C4=CC=CC=C4Cl)SCC5=CC=CC=C5

Isomeric SMILES

C1CNCCC1N2C3=NC(=NC=C3CN(C2=O)C4=CC=CC=C4Cl)SCC5=CC=CC=C5

InChI

InChI=1S/C24H24ClN5OS/c25-20-8-4-5-9-21(20)29-15-18-14-27-23(32-16-17-6-2-1-3-7-17)28-22(18)30(24(29)31)19-10-12-26-13-11-19/h1-9,14,19,26H,10-13,15-16H2