5-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 5-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 5-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxopropyl]-6-methyl-2-(methylthio)-4-pyrimidinolate IUPAC Name: 5-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxopropyl]-6-methyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[3-(homopiperonylamino)-3-keto-propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C18H20N3O4S- MolecularWeight: 374.4341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21N3O4S/c1-11-13(17(23)21-18(20-11)26-2)4-6-16(22)19-8-7-12-3-5-14-15(9-12)25-10-24-14/h3,5,9H,4,6-8,10H2,1-2H3,(H,19,22)(H,20,21,23)/p-1