4-[(phenylmethyl)amino]quinazoline-5-carboxylic acid

Systemtic Name: 4-[(phenylmethyl)amino]quinazoline-5-carboxylic acid Openeye Name: 4-(benzylamino)quinazoline-5-carboxylic acid CAS Name: 4-[(phenylmethyl)amino]-5-quinazolinecarboxylic acid IUPAC Name: 4-(benzylamino)quinazoline-5-carboxylic acid Traditional Name: 4-(benzylamino)quinazoline-5-carboxylic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC3=CC=CC(=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC3=CC=CC(=C32)C(=O)O

InChI

InChI=1S/C16H13N3O2/c20-16(21)12-7-4-8-13-14(12)15(19-10-18-13)17-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,21)(H,17,18,19)