ethyl 3,5-dimethyl-4-(2-phenylazanylpyrimidin-4-yl)-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-(2-phenylazanylpyrimidin-4-yl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(2-anilino-4-pyrimidinyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H20N4O2 MolecularWeight: 336.3877

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2/c1-4-25-18(24)17-12(2)16(13(3)21-17)15-10-11-20-19(23-15)22-14-8-6-5-7-9-14/h5-11,21H,4H2,1-3H3,(H,20,22,23)