ethyl 4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-(3-chloroanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-(3-chloroanilino)-4-pyrimidinyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-chloroanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(3-chloroanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H19ClN4O2 MolecularWeight: 370.83276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2)NC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2)NC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C19H19ClN4O2/c1-4-26-18(25)17-11(2)16(12(3)22-17)15-8-9-21-19(24-15)23-14-7-5-6-13(20)10-14/h5-10,22H,4H2,1-3H3,(H,21,23,24)