ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-[(2-phenyl-5-pyrimidinyl)amino]ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[(2-phenylpyrimidin-5-yl)amino]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CN=C(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CN=C(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N4O3/c1-4-28-21(27)18-10-14(2)25(15(18)3)13-19(26)24-17-11-22-20(23-12-17)16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3,(H,24,26)