methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanyl-3-methyl-imidazole-4-carboxylate

Systemtic Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanyl-3-methyl-imidazole-4-carboxylate Openeye Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanyl-3-methyl-imidazole-4-carboxylate CAS Name: 2-[[(4,6-dimethoxy-2-pyrimidinyl)-phenylmethyl]thio]-3-methyl-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-3-methylimidazole-4-carboxylate Traditional Name: 2-[[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]thio]-3-methyl-imidazole-4-carboxylic acid methyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC(C2=CC=CC=C2)C3=NC(=CC(=N3)OC)OC)C(=O)OC

Isomeric SMILES

CN1C(=CN=C1SC(C2=CC=CC=C2)C3=NC(=CC(=N3)OC)OC)C(=O)OC

InChI

InChI=1S/C19H20N4O4S/c1-23-13(18(24)27-4)11-20-19(23)28-16(12-8-6-5-7-9-12)17-21-14(25-2)10-15(22-17)26-3/h5-11,16H,1-4H3