N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]propanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-homopiperonyl-3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propionamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21N3O4S/c1-11-13(17(23)21-18(20-11)26-2)4-6-16(22)19-8-7-12-3-5-14-15(9-12)25-10-24-14/h3,5,9H,4,6-8,10H2,1-2H3,(H,19,22)(H,20,21,23)