1-(4-pyridin-2-ylpiperazin-1-yl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one

Systemtic Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one Openeye Name: 1-[4-(2-pyridyl)piperazin-1-yl]-4-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)butan-1-one CAS Name: 1-[4-(2-pyridinyl)-1-piperazinyl]-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)-1-butanone IUPAC Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one Traditional Name: 1-[4-(2-pyridyl)piperazino]-4-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)butan-1-one Formula: C20H31N5OS MolecularWeight: 389.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1CCCC(=O)N2CCN(CC2)C3=CC=CC=N3)(C)C

Isomeric SMILES

CC1CC(NC(=S)N1CCCC(=O)N2CCN(CC2)C3=CC=CC=N3)(C)C

InChI

InChI=1S/C20H31N5OS/c1-16-15-20(2,3)22-19(27)25(16)10-6-8-18(26)24-13-11-23(12-14-24)17-7-4-5-9-21-17/h4-5,7,9,16H,6,8,10-15H2,1-3H3,(H,22,27)