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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=NC=N2)NC3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(NC2=C1C(=NC=N2)NC3=CC(=CC=C3)Cl)C(=O)O

InChI

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