6-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-[2-(4-benzhydrylpiperazino)-2-keto-ethyl]-2-(m-anisylthio)-1H-pyrimidin-4-one Formula: C31H32N4O3S MolecularWeight: 540.67578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H32N4O3S/c1-38-27-14-8-9-23(19-27)22-39-31-32-26(20-28(36)33-31)21-29(37)34-15-17-35(18-16-34)30(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-14,19-20,30H,15-18,21-22H2,1H3,(H,32,33,36)