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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-4-(butylsulfonimidoyl)butanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-(butylsulfonimidoyl)butanoic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-4-(butylsulfonimidoyl)butanoic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-(butylsulfonimidoyl)butanoic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-4-(butylsulfonimidoyl)butyric acid Formula: C22H28N8O5S MolecularWeight: 516.57332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=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

CCCCS(=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/C22H28N8O5S/c1-2-3-9-36(24,35)10-8-16(21(33)34)28-19(31)13-4-6-14(7-5-13)25-11-15-12-26-18-17(27-15)20(32)30-22(23)29-18/h4-7,12,16,24-25H,2-3,8-11H2,1H3,(H,28,31)(H,33,34)(H3,23,26,29,30,32)