ethyl 2-[[5-methoxycarbonyl-4-methyl-6-(phenylmethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[5-methoxycarbonyl-4-methyl-6-(phenylmethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(4-benzyl-5-methoxycarbonyl-6-methyl-pyrimidin-2-yl)amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[5-methoxycarbonyl-4-methyl-6-(phenylmethyl)-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzyl-5-methoxycarbonyl-6-methylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-benzyl-5-carbomethoxy-6-methyl-pyrimidin-2-yl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC2=NC(=C(C(=N2)CC3=CC=CC=C3)C(=O)OC)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=NC(=C(C(=N2)CC3=CC=CC=C3)C(=O)OC)C)C

InChI

InChI=1S/C21H22N4O4S/c1-5-29-19(27)17-13(3)23-21(30-17)25-20-22-12(2)16(18(26)28-4)15(24-20)11-14-9-7-6-8-10-14/h6-10H,5,11H2,1-4H3,(H,22,23,24,25)