2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-[4-(2-methoxyphenyl)piperazino]-6-[[(4-methylpyrimidin-2-yl)thio]methyl]-1H-pyrimidin-4-one Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=CC(=O)N=C(N2)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=CC(=O)N=C(N2)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H24N6O2S/c1-15-7-8-22-21(23-15)30-14-16-13-19(28)25-20(24-16)27-11-9-26(10-12-27)17-5-3-4-6-18(17)29-2/h3-8,13H,9-12,14H2,1-2H3,(H,24,25,28)