ethyl 2-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(5-cyano-4-phenyl-2-pyrimidinyl)amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-cyano-4-phenylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C18H15N5O2S MolecularWeight: 365.409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O2S/c1-3-25-16(24)15-11(2)21-18(26-15)23-17-20-10-13(9-19)14(22-17)12-7-5-4-6-8-12/h4-8,10H,3H2,1-2H3,(H,20,21,22,23)