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

Systemtic Name: 2-[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-[(5-methoxycarbonyl-4-methyl-thiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[(5-methoxycarbonyl-4-methyl-2-thiazolyl)amino]-2-oxoethyl]thio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-[(5-carbomethoxy-4-methyl-thiazol-2-yl)amino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C20H19N4O4S2- MolecularWeight: 443.51926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)NC2=NC(=C(S2)C(=O)OC)C)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)NC2=NC(=C(S2)C(=O)OC)C)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O4S2/c1-11-14(9-13-7-5-4-6-8-13)17(26)24-19(21-11)29-10-15(25)23-20-22-12(2)16(30-20)18(27)28-3/h4-8H,9-10H2,1-3H3,(H,21,24,26)(H,22,23,25)/p-1