4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid; 6-phenylpteridine-2,4,7-triamine

Systemtic Name: 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid; 6-phenylpteridine-2,4,7-triamine Openeye Name: 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid; 6-phenylpteridine-2,4,7-triamine CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid; 6-phenylpteridine-2,4,7-triamine IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid; 6-phenylpteridine-2,4,7-triamine Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid; (2,4-diamino-6-phenyl-pteridin-7-yl)amine Formula: C24H22ClN9O5S MolecularWeight: 584.00678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N.C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N.C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C12H11ClN2O5S.C12H11N7/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);1-5H,(H6,13,14,15,17,18,19)