4-[2-[2,4-bis(azanyl)quinazolin-6-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[2,4-bis(azanyl)quinazolin-6-yl]ethyl]benzoic acid Openeye Name: 4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoic acid CAS Name: 4-[2-(2,4-diamino-6-quinazolinyl)ethyl]benzoic acid IUPAC Name: 4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoic acid Traditional Name: 4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoic acid Formula: C17H16N4O2 MolecularWeight: 308.33454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CC3=C(C=C2)N=C(N=C3N)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC2=CC3=C(C=C2)N=C(N=C3N)N)C(=O)O

InChI

InChI=1S/C17H16N4O2/c18-15-13-9-11(5-8-14(13)20-17(19)21-15)2-1-10-3-6-12(7-4-10)16(22)23/h3-9H,1-2H2,(H,22,23)(H4,18,19,20,21)