benzenesulfonic acid; dimethyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate

Systemtic Name: benzenesulfonic acid; dimethyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate Openeye Name: benzenesulfonic acid; dimethyl 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid dimethyl ester; benzenesulfonic acid IUPAC Name: benzenesulfonic acid; dimethyl 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid dimethyl ester; besylic acid Formula: C27H29N7O9S MolecularWeight: 627.62566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

COC(=O)CCC(C(=O)OC)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H23N7O6.C6H6O3S/c1-33-15(29)8-7-14(20(32)34-2)26-18(30)11-3-5-12(6-4-11)23-9-13-10-24-17-16(25-13)19(31)28-21(22)27-17;7-10(8,9)6-4-2-1-3-5-6/h3-6,10,14,23H,7-9H2,1-2H3,(H,26,30)(H3,22,24,27,28,31);1-5H,(H,7,8,9)