[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]-(5-methoxy-2-methoxycarbonyl-5-oxidanylidene-pentyl)phosphinic acid

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]-(5-methoxy-2-methoxycarbonyl-5-oxidanylidene-pentyl)phosphinic acid Openeye Name: [4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-(5-methoxy-2-methoxycarbonyl-5-oxo-pentyl)phosphinic acid CAS Name: [4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid IUPAC Name: [4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphinic acid Traditional Name: [4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]phenyl]-(2-carbomethoxy-5-keto-5-methoxy-pentyl)phosphinic acid Formula: C21H25N6O7P MolecularWeight: 504.432961

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CP(=O)(C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)O)C(=O)OC

Isomeric SMILES

COC(=O)CCC(CP(=O)(C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N)O)C(=O)OC

InChI

InChI=1S/C21H25N6O7P/c1-33-16(28)8-3-12(20(30)34-2)11-35(31,32)15-6-4-13(5-7-15)23-9-14-10-24-18-17(25-14)19(29)27-21(22)26-18/h4-7,10,12,23H,3,8-9,11H2,1-2H3,(H,31,32)(H3,22,24,26,27,29)