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

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-6-[(2-pyrimidinylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-(2-methoxyphenyl)piperazino]-6-[(2-pyrimidylthio)methyl]-1H-pyrimidin-4-one Formula: C20H22N6O2S MolecularWeight: 410.49268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC(=O)C=C(N3)CSC4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC(=O)C=C(N3)CSC4=NC=CC=N4

InChI

InChI=1S/C20H22N6O2S/c1-28-17-6-3-2-5-16(17)25-9-11-26(12-10-25)19-23-15(13-18(27)24-19)14-29-20-21-7-4-8-22-20/h2-8,13H,9-12,14H2,1H3,(H,23,24,27)