2,3-bis(azanyl)-4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-methyl-amino]benzoic acid

Systemtic Name: 2,3-bis(azanyl)-4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-methyl-amino]benzoic acid Openeye Name: 2,3-diamino-4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methyl-amino]benzoic acid CAS Name: 2,3-diamino-4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methylamino]benzoic acid IUPAC Name: 2,3-diamino-4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methylamino]benzoic acid Traditional Name: 2,3-diamino-4-[(2-amino-4-keto-1H-pteridin-6-yl)methyl-methyl-amino]benzoic acid Formula: C15H16N8O3 MolecularWeight: 356.33934

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=O)N=C(N2)N)C3=C(C(=C(C=C3)C(=O)O)N)N

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=O)N=C(N2)N)C3=C(C(=C(C=C3)C(=O)O)N)N

InChI

InChI=1S/C15H16N8O3/c1-23(8-3-2-7(14(25)26)9(16)10(8)17)5-6-4-19-12-11(20-6)13(24)22-15(18)21-12/h2-4H,5,16-17H2,1H3,(H,25,26)(H3,18,19,21,22,24)