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

Systemtic Name: 4-[2-[2,4-bis(azanyl)pteridin-6-yl]ethyl]benzoic acid Openeye Name: 4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoic acid CAS Name: 4-[2-(2,4-diamino-6-pteridinyl)ethyl]benzoic acid IUPAC Name: 4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoic acid Traditional Name: 4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoic acid Formula: C15H14N6O2 MolecularWeight: 310.31066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)O

InChI

InChI=1S/C15H14N6O2/c16-12-11-13(21-15(17)20-12)18-7-10(19-11)6-3-8-1-4-9(5-2-8)14(22)23/h1-2,4-5,7H,3,6H2,(H,22,23)(H4,16,17,18,20,21)