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

Systemtic Name: 4-[[2,4-bis(azanyl)pteridin-6-yl]methoxy]benzoic acid Openeye Name: 4-[(2,4-diaminopteridin-6-yl)methoxy]benzoic acid CAS Name: 4-[(2,4-diamino-6-pteridinyl)methoxy]benzoic acid IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methoxy]benzoic acid Traditional Name: 4-[(2,4-diaminopteridin-6-yl)methoxy]benzoic acid Formula: C14H12N6O3 MolecularWeight: 312.28348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N6O3/c15-11-10-12(20-14(16)19-11)17-5-8(18-10)6-23-9-3-1-7(2-4-9)13(21)22/h1-5H,6H2,(H,21,22)(H4,15,16,17,19,20)