2-[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]-1-[4-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]-1-[4-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone Openeye Name: 2-[(4S,6R)-6-methyl-2-thioxo-hexahydropyrimidin-4-yl]-1-[4-(2-phenylpyrimidin-4-yl)-1-piperidyl]ethanone CAS Name: 2-[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]-1-[4-(2-phenyl-4-pyrimidinyl)-1-piperidinyl]ethanone IUPAC Name: 2-[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]-1-[4-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone Traditional Name: 2-[(4S,6R)-6-methyl-2-thioxo-hexahydropyrimidin-4-yl]-1-[4-(2-phenylpyrimidin-4-yl)piperidino]ethanone Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1)CC(=O)N2CCC(CC2)C3=NC(=NC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1C[C@H](NC(=S)N1)CC(=O)N2CCC(CC2)C3=NC(=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5OS/c1-15-13-18(25-22(29)24-15)14-20(28)27-11-8-16(9-12-27)19-7-10-23-21(26-19)17-5-3-2-4-6-17/h2-7,10,15-16,18H,8-9,11-14H2,1H3,(H2,24,25,29)/t15-,18+/m1/s1