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

Systemtic Name: 4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]benzoic acid Openeye Name: 4-[(2,4-diaminopteridin-6-yl)methylamino]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)methylamino]benzoic acid Formula: C14H13N7O2 MolecularWeight: 311.29872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C14H13N7O2/c15-11-10-12(21-14(16)20-11)18-6-9(19-10)5-17-8-3-1-7(2-4-8)13(22)23/h1-4,6,17H,5H2,(H,22,23)(H4,15,16,18,20,21)