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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-4-(methylsulfonimidoyl)butanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-(methylsulfonimidoyl)butanoic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-4-(methylsulfonimidoyl)butanoic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-(methylsulfonimidoyl)butanoic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-(methylsulfonimidoyl)butyric acid Formula: C19H22N8O5S MolecularWeight: 474.49358

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Descriptors Computed from Structure

Canonical SMILES:

CS(=N)(=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(=N)(=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/C19H22N8O5S/c1-33(21,32)7-6-13(18(30)31)25-16(28)10-2-4-11(5-3-10)22-8-12-9-23-15-14(24-12)17(29)27-19(20)26-15/h2-5,9,13,21-22H,6-8H2,1H3,(H,25,28)(H,30,31)(H3,20,23,26,27,29)