6-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-5-methyl-pyrimidin-4-olate

Systemtic Name: 6-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-5-methyl-pyrimidin-4-olate Openeye Name: 6-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-5-methyl-pyrimidin-4-olate CAS Name: 6-ethyl-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thio]-5-methyl-4-pyrimidinolate IUPAC Name: 6-ethyl-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-5-methylpyrimidin-4-olate Traditional Name: 6-ethyl-2-[[2-keto-2-(p-anisylamino)ethyl]thio]-5-methyl-pyrimidin-4-olate Formula: C17H20N3O3S- MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NCC2=CC=C(C=C2)OC)[O-])C

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)NCC2=CC=C(C=C2)OC)[O-])C

InChI

InChI=1S/C17H21N3O3S/c1-4-14-11(2)16(22)20-17(19-14)24-10-15(21)18-9-12-5-7-13(23-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,18,21)(H,19,20,22)/p-1