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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c25-19(22-11-15-6-7-17-18(8-15)28-13-27-17)9-16-10-20(26)24-21(23-16)29-12-14-4-2-1-3-5-14/h1-8,10H,9,11-13H2,(H,22,25)(H,23,24,26)