ethyl 4-(5-cyano-2-phenylazanyl-pyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(5-cyano-2-phenylazanyl-pyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(2-anilino-5-cyano-pyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(2-anilino-5-cyano-4-pyrimidinyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-anilino-5-cyanopyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-anilino-5-cyano-pyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2C#N)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2C#N)NC3=CC=CC=C3)C

InChI

InChI=1S/C20H19N5O2/c1-4-27-19(26)17-12(2)16(13(3)23-17)18-14(10-21)11-22-20(25-18)24-15-8-6-5-7-9-15/h5-9,11,23H,4H2,1-3H3,(H,22,24,25)