N-methyl-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: N-methyl-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(2-thienylmethyl)propanamide CAS Name: N-methyl-3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-methyl-N-(2-thenyl)propionamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)N(C)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)N(C)CC3=CC=CS3

InChI

InChI=1S/C21H23N3O2S2/c1-15-18(10-11-19(25)24(2)13-17-9-6-12-27-17)20(26)23-21(22-15)28-14-16-7-4-3-5-8-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,23,26)