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

Systemtic Name: 4-[2-azanyl-5-(3-methylphenyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-amino-5-(m-tolyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-amino-5-(3-methylphenyl)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-amino-5-(m-tolyl)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)O)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)O)N

InChI

InChI=1S/C16H14N4O2/c1-9-3-2-4-10(5-9)12-8-19-16(17)20-14(12)11-6-13(15(21)22)18-7-11/h2-8,18H,1H3,(H,21,22)(H2,17,19,20)