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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-13-16(10-19(25)23-15-7-8-17-18(9-15)28-12-27-17)20(26)24-21(22-13)29-11-14-5-3-2-4-6-14/h2-9H,10-12H2,1H3,(H,23,25)(H,22,24,26)