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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-4-(ethylsulfonimidoyl)butanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-(ethylsulfonimidoyl)butanoic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-4-(ethylsulfonimidoyl)butanoic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-(ethylsulfonimidoyl)butanoic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-(ethylsulfonimidoyl)butyric acid Formula: C20H24N8O5S MolecularWeight: 488.52016

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=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

CCS(=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/C20H24N8O5S/c1-2-34(22,33)8-7-14(19(31)32)26-17(29)11-3-5-12(6-4-11)23-9-13-10-24-16-15(25-13)18(30)28-20(21)27-16/h3-6,10,14,22-23H,2,7-9H2,1H3,(H,26,29)(H,31,32)(H3,21,24,27,28,30)