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

Systemtic Name: 4-[[2,4-bis(azanyl)pteridin-6-yl]methoxycarbonyl]benzoic acid Openeye Name: 4-[(2,4-diaminopteridin-6-yl)methoxycarbonyl]benzoic acid CAS Name: 4-[(2,4-diamino-6-pteridinyl)methoxy-oxomethyl]benzoic acid IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methoxycarbonyl]benzoic acid Traditional Name: 4-[(2,4-diaminopteridin-6-yl)methoxycarbonyl]benzoic acid Formula: C15H12N6O4 MolecularWeight: 340.29358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)C(=O)OCC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)C(=O)OCC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C15H12N6O4/c16-11-10-12(21-15(17)20-11)18-5-9(19-10)6-25-14(24)8-3-1-7(2-4-8)13(22)23/h1-5H,6H2,(H,22,23)(H4,16,17,18,20,21)