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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O4S/c24-18(21-14-6-7-16-17(8-14)27-12-26-16)9-15-10-19(25)23-20(22-15)28-11-13-4-2-1-3-5-13/h1-8,10H,9,11-12H2,(H,21,24)(H,22,23,25)