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

Systemtic Name: 4-[[2,4-bis(azanyl)pteridin-6-yl]-methyl-amino]benzoic acid Openeye Name: 4-[(2,4-diaminopteridin-6-yl)-methyl-amino]benzoic acid CAS Name: 4-[(2,4-diamino-6-pteridinyl)-methylamino]benzoic acid IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)-methylamino]benzoic acid Traditional Name: 4-[(2,4-diaminopteridin-6-yl)-methyl-amino]benzoic acid Formula: C14H13N7O2 MolecularWeight: 311.29872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N7O2/c1-21(8-4-2-7(3-5-8)13(22)23)9-6-17-12-10(18-9)11(15)19-14(16)20-12/h2-6H,1H3,(H,22,23)(H4,15,16,17,19,20)