N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-methylpropyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-methylpropyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-hydroxy-1-isobutyl-4-oxo-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-hydroxy-1-(2-methylpropyl)-4-oxo-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-hydroxy-1-(2-methylpropyl)-4-oxopyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[(6-hydroxy-1-isobutyl-4-keto-pyrimidin-2-yl)thio]-N-piperonyl-acetamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CC(=O)N=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC(C)CN1C(=CC(=O)N=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C18H21N3O5S/c1-11(2)8-21-17(24)6-15(22)20-18(21)27-9-16(23)19-7-12-3-4-13-14(5-12)26-10-25-13/h3-6,11,24H,7-10H2,1-2H3,(H,19,23)