ethyl 4-methyl-2-[(4-oxidanylidene-6-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(4-oxidanylidene-6-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[(4-oxo-6-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[(4-oxo-6-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-oxo-6-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-keto-6-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=NC1=O)NC2=NC(=C(S2)C(=O)OCC)C)C3=CC=CC=C3

Isomeric SMILES

CCCC1=C(NC(=NC1=O)NC2=NC(=C(S2)C(=O)OCC)C)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S/c1-4-9-14-15(13-10-7-6-8-11-13)22-19(23-17(14)25)24-20-21-12(3)16(28-20)18(26)27-5-2/h6-8,10-11H,4-5,9H2,1-3H3,(H2,21,22,23,24,25)