dimethyl 2-[[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]-methoxy-phosphoryl]methyl]pentanedioate

Systemtic Name: dimethyl 2-[[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]-methoxy-phosphoryl]methyl]pentanedioate Openeye Name: dimethyl 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-methoxy-phosphoryl]methyl]pentanedioate CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-methoxyphosphoryl]methyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-methoxyphosphoryl]methyl]pentanedioate Traditional Name: 2-[[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]phenyl]-methoxy-phosphoryl]methyl]glutaric acid dimethyl ester Formula: C22H27N6O7P MolecularWeight: 518.459541

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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)OC)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)OC)C(=O)OC

InChI

InChI=1S/C22H27N6O7P/c1-33-17(29)9-4-13(21(31)34-2)12-36(32,35-3)16-7-5-14(6-8-16)24-10-15-11-25-19-18(26-15)20(30)28-22(23)27-19/h5-8,11,13,24H,4,9-10,12H2,1-3H3,(H3,23,25,27,28,30)