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

Systemtic Name: 4-[[2,4-bis(azanyl)quinazolin-6-yl]methoxycarbonyl]benzoic acid Openeye Name: 4-[(2,4-diaminoquinazolin-6-yl)methoxycarbonyl]benzoic acid CAS Name: 4-[(2,4-diamino-6-quinazolinyl)methoxy-oxomethyl]benzoic acid IUPAC Name: 4-[(2,4-diaminoquinazolin-6-yl)methoxycarbonyl]benzoic acid Traditional Name: 4-[(2,4-diaminoquinazolin-6-yl)methoxycarbonyl]benzoic acid Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)C(=O)OCC2=CC3=C(C=C2)N=C(N=C3N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)C(=O)OCC2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C17H14N4O4/c18-14-12-7-9(1-6-13(12)20-17(19)21-14)8-25-16(24)11-4-2-10(3-5-11)15(22)23/h1-7H,8H2,(H,22,23)(H4,18,19,20,21)