6-[1-(4-methoxyphenyl)sulfonyl-4-(phenylmethyl)piperazin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-4-one

Systemtic Name: 6-[1-(4-methoxyphenyl)sulfonyl-4-(phenylmethyl)piperazin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 6-[4-benzyl-1-(4-methoxyphenyl)sulfonyl-piperazin-2-yl]-2-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 6-[1-(4-methoxyphenyl)sulfonyl-4-(phenylmethyl)-2-piperazinyl]-2-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 6-[4-benzyl-1-(4-methoxyphenyl)sulfonylpiperazin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 6-[4-benzyl-1-(4-methoxyphenyl)sulfonyl-piperazin-2-yl]-2-(4-pyridyl)-1H-pyrimidin-4-one Formula: C27H27N5O4S MolecularWeight: 517.59938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C3=CC(=O)N=C(N3)C4=CC=NC=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C3=CC(=O)N=C(N3)C4=CC=NC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O4S/c1-36-22-7-9-23(10-8-22)37(34,35)32-16-15-31(18-20-5-3-2-4-6-20)19-25(32)24-17-26(33)30-27(29-24)21-11-13-28-14-12-21/h2-14,17,25H,15-16,18-19H2,1H3,(H,29,30,33)