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

Systemtic Name: 4-[2-[2,4-bis(azanyl)pteridin-6-yl]ethyl-methyl-amino]benzoic acid; sodium Openeye Name: 4-[2-(2,4-diaminopteridin-6-yl)ethyl-methyl-amino]benzoic acid; sodium CAS Name: 4-[2-(2,4-diamino-6-pteridinyl)ethyl-methylamino]benzoic acid; sodium IUPAC Name: 4-[2-(2,4-diaminopteridin-6-yl)ethyl-methylamino]benzoic acid; sodium Traditional Name: 4-[2-(2,4-diaminopteridin-6-yl)ethyl-methyl-amino]benzoic acid; sodium Formula: C16H17N7NaO2 MolecularWeight: 362.34165

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)O.[Na]

Isomeric SMILES

CN(CCC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)O.[Na]

InChI

InChI=1S/C16H17N7O2.Na/c1-23(11-4-2-9(3-5-11)15(24)25)7-6-10-8-19-14-12(20-10)13(17)21-16(18)22-14;/h2-5,8H,6-7H2,1H3,(H,24,25)(H4,17,18,19,21,22);