2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-mesyl-butyric acid Formula: C19H21N7O6S MolecularWeight: 475.47834

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C19H21N7O6S/c1-33(31,32)7-6-13(18(29)30)24-16(27)10-2-4-11(5-3-10)21-8-12-9-22-15-14(23-12)17(28)26-19(20)25-15/h2-5,9,13,21H,6-8H2,1H3,(H,24,27)(H,29,30)(H3,20,22,25,26,28)