4-[(3-chlorophenyl)amino]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

Systemtic Name: 4-[(3-chlorophenyl)amino]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid Openeye Name: 4-(3-chloroanilino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid CAS Name: 4-(3-chloroanilino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid IUPAC Name: 4-(3-chloroanilino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid Traditional Name: 4-(3-chloroanilino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid Formula: C14H11ClN4O2 MolecularWeight: 302.71574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)N=CN=C2NC3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1)N=CN=C2NC3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C14H11ClN4O2/c1-7-10(14(20)21)11-12(18-7)16-6-17-13(11)19-9-4-2-3-8(15)5-9/h2-6H,1H3,(H,20,21)(H2,16,17,18,19)