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

Systemtic Name: 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]benzoic acid Openeye Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoic acid CAS Name: 4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]benzoic acid IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid Traditional Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoic acid Formula: C15H15N7O2 MolecularWeight: 325.3253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N7O2/c1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13/h2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21)