ethyl 4-[(3-chlorophenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[(3-chlorophenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C15H13ClN4O2 MolecularWeight: 316.74232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)N=CN=C2NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)N=CN=C2NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H13ClN4O2/c1-2-22-15(21)12-7-11-13(17-8-18-14(11)20-12)19-10-5-3-4-9(16)6-10/h3-8H,2H2,1H3,(H2,17,18,19,20)