4-[2-azanyl-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[2-azanyl-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-amino-5-(3-chlorophenyl)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C15H11ClN4O2 MolecularWeight: 314.72644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=CN=C(N=C2C3=CNC(=C3)C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=CN=C(N=C2C3=CNC(=C3)C(=O)O)N

InChI

InChI=1S/C15H11ClN4O2/c16-10-3-1-2-8(4-10)11-7-19-15(17)20-13(11)9-5-12(14(21)22)18-6-9/h1-7,18H,(H,21,22)(H2,17,19,20)