2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-5-ethyl-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-5-ethyl-6-methylpyrimidin-4-olate Traditional Name: 5-ethyl-2-[[2-keto-2-(piperonylamino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C17H18N3O4S- MolecularWeight: 360.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C17H19N3O4S/c1-3-12-10(2)19-17(20-16(12)22)25-8-15(21)18-7-11-4-5-13-14(6-11)24-9-23-13/h4-6H,3,7-9H2,1-2H3,(H,18,21)(H,19,20,22)/p-1