4-[[2,4-bis(azanyl)-7-chloranyl-pteridin-6-yl]methyl-methyl-amino]benzoic acid

Systemtic Name: 4-[[2,4-bis(azanyl)-7-chloranyl-pteridin-6-yl]methyl-methyl-amino]benzoic acid Openeye Name: 4-[(2,4-diamino-7-chloro-pteridin-6-yl)methyl-methyl-amino]benzoic acid CAS Name: 4-[(2,4-diamino-7-chloro-6-pteridinyl)methyl-methylamino]benzoic acid IUPAC Name: 4-[(2,4-diamino-7-chloropteridin-6-yl)methyl-methylamino]benzoic acid Traditional Name: 4-[(2,4-diamino-7-chloro-pteridin-6-yl)methyl-methyl-amino]benzoic acid Formula: C15H14ClN7O2 MolecularWeight: 359.77036

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=C(N=C1Cl)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(CC1=NC2=C(N=C1Cl)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H14ClN7O2/c1-23(8-4-2-7(3-5-8)14(24)25)6-9-11(16)20-13-10(19-9)12(17)21-15(18)22-13/h2-5H,6H2,1H3,(H,24,25)(H4,17,18,20,21,22)