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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-4-(propylsulfonimidoyl)butanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-(propylsulfonimidoyl)butanoic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-4-(propylsulfonimidoyl)butanoic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-(propylsulfonimidoyl)butanoic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-(propylsulfonimidoyl)butyric acid Formula: C21H26N8O5S MolecularWeight: 502.54674

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=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

CCCS(=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/C21H26N8O5S/c1-2-8-35(23,34)9-7-15(20(32)33)27-18(30)12-3-5-13(6-4-12)24-10-14-11-25-17-16(26-14)19(31)29-21(22)28-17/h3-6,11,15,23-24H,2,7-10H2,1H3,(H,27,30)(H,32,33)(H3,22,25,28,29,31)