3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-N-[[2-(morpholinomethyl)phenyl]methyl]propanamide CAS Name: 3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-N-[[2-(4-morpholinylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]-N-[2-(morpholinomethyl)benzyl]propionamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NCC2=CC=CC=C2CN3CCOCC3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NCC2=CC=CC=C2CN3CCOCC3

InChI

InChI=1S/C21H28N4O3S/c1-15-18(20(27)24-21(23-15)29-2)7-8-19(26)22-13-16-5-3-4-6-17(16)14-25-9-11-28-12-10-25/h3-6H,7-14H2,1-2H3,(H,22,26)(H,23,24,27)