2-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]amino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]amino]ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C18H17N4O3S2- MolecularWeight: 401.48258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=NC(=C(S2)C)C3=CC=C(C=C3)OC)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=NC(=C(S2)C)C3=CC=C(C=C3)OC)[O-]

InChI

InChI=1S/C18H18N4O3S2/c1-10-8-14(23)20-17(19-10)26-9-15(24)21-18-22-16(11(2)27-18)12-4-6-13(25-3)7-5-12/h4-8H,9H2,1-3H3,(H,19,20,23)(H,21,22,24)/p-1