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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]propionamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O4S/c1-14-17(21(27)25-22(23-14)30-12-15-5-3-2-4-6-15)8-10-20(26)24-16-7-9-18-19(11-16)29-13-28-18/h2-7,9,11H,8,10,12-13H2,1H3,(H,24,26)(H,23,25,27)