5-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-2-benzylsulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-benzylsulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-[2-(4-benzhydrylpiperazino)-2-keto-ethyl]-2-(benzylthio)-6-methyl-1H-pyrimidin-4-one Formula: C31H32N4O2S MolecularWeight: 524.67638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H32N4O2S/c1-23-27(30(37)33-31(32-23)38-22-24-11-5-2-6-12-24)21-28(36)34-17-19-35(20-18-34)29(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,29H,17-22H2,1H3,(H,32,33,37)