4-[(phenylmethyl)amino]-2-pyridin-4-yl-quinazoline-6-carboxylic acid

Systemtic Name: 4-[(phenylmethyl)amino]-2-pyridin-4-yl-quinazoline-6-carboxylic acid Openeye Name: 4-(benzylamino)-2-(4-pyridyl)quinazoline-6-carboxylic acid CAS Name: 4-[(phenylmethyl)amino]-2-pyridin-4-yl-6-quinazolinecarboxylic acid IUPAC Name: 4-(benzylamino)-2-pyridin-4-ylquinazoline-6-carboxylic acid Traditional Name: 4-(benzylamino)-2-(4-pyridyl)quinazoline-6-carboxylic acid Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC3=C2C=C(C=C3)C(=O)O)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=C2C=C(C=C3)C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C21H16N4O2/c26-21(27)16-6-7-18-17(12-16)20(23-13-14-4-2-1-3-5-14)25-19(24-18)15-8-10-22-11-9-15/h1-12H,13H2,(H,26,27)(H,23,24,25)