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

Systemtic Name: 4-[(E)-2-[2,4-bis(azanyl)pteridin-6-yl]ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(2,4-diaminopteridin-6-yl)vinyl]benzoic acid CAS Name: 4-[(E)-2-(2,4-diamino-6-pteridinyl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(2,4-diaminopteridin-6-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-2-(2,4-diaminopteridin-6-yl)vinyl]benzoic acid Formula: C15H12N6O2 MolecularWeight: 308.29478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)O

InChI

InChI=1S/C15H12N6O2/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/h1-7H,(H,22,23)(H4,16,17,18,20,21)/b6-3+