N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidyl]-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]propanamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-[1-(4-chlorobenzyl)-4-piperidyl]-3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propionamide Formula: C21H27ClN4O2S MolecularWeight: 434.98268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN4O2S/c1-14-18(20(28)25-21(23-14)29-2)7-8-19(27)24-17-9-11-26(12-10-17)13-15-3-5-16(22)6-4-15/h3-6,17H,7-13H2,1-2H3,(H,24,27)(H,23,25,28)