2-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-(phenylmethyl)-3-prop-2-enyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-(phenylmethyl)-3-prop-2-enyl-pyrimidin-4-olate Openeye Name: 3-allyl-5-benzyl-2-[2-(2-methoxyanilino)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(2-methoxyanilino)-2-oxoethyl]thio]-6-oxo-5-(phenylmethyl)-3-prop-2-enyl-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-3-prop-2-enylpyrimidin-4-olate Traditional Name: 3-allyl-5-benzyl-6-keto-2-[[2-keto-2-(o-anisidino)ethyl]thio]pyrimidin-4-olate Formula: C23H22N3O4S- MolecularWeight: 436.50348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CSC2=NC(=O)C(=C(N2CC=C)[O-])CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CSC2=NC(=O)C(=C(N2CC=C)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O4S/c1-3-13-26-22(29)17(14-16-9-5-4-6-10-16)21(28)25-23(26)31-15-20(27)24-18-11-7-8-12-19(18)30-2/h3-12,29H,1,13-15H2,2H3,(H,24,27)/p-1