2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C17H20N3O4S- MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCCC2=CC(=C(C=C2)OC)OC)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-11-8-15(21)20-17(19-11)25-10-16(22)18-7-6-12-4-5-13(23-2)14(9-12)24-3/h4-5,8-9H,6-7,10H2,1-3H3,(H,18,22)(H,19,20,21)/p-1