1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propan-1-one

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propan-1-one Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)propan-1-one CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)-1-propanone IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propan-1-one Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-3-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)propan-1-one Formula: C18H28N6OS MolecularWeight: 376.51952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1CCC(=O)N2CCN(CC2)C3=NC=CC=N3)(C)C

Isomeric SMILES

CC1CC(NC(=S)N1CCC(=O)N2CCN(CC2)C3=NC=CC=N3)(C)C

InChI

InChI=1S/C18H28N6OS/c1-14-13-18(2,3)21-17(26)24(14)8-5-15(25)22-9-11-23(12-10-22)16-19-6-4-7-20-16/h4,6-7,14H,5,8-13H2,1-3H3,(H,21,26)