methyl 4-(4,6-dimethyl-9-oxidanylidene-1H-imidazo[1,2-a]purin-7-yl)-2-(methoxycarbonylamino)-3-oxidanyl-butanoate

Systemtic Name: methyl 4-(4,6-dimethyl-9-oxidanylidene-1H-imidazo[1,2-a]purin-7-yl)-2-(methoxycarbonylamino)-3-oxidanyl-butanoate Openeye Name: methyl 4-(4,6-dimethyl-9-oxo-1H-imidazo[1,2-a]purin-7-yl)-3-hydroxy-2-(methoxycarbonylamino)butanoate CAS Name: 4-(4,6-dimethyl-9-oxo-1H-imidazo[1,2-a]purin-7-yl)-3-hydroxy-2-(methoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl 4-(4,6-dimethyl-9-oxo-1H-imidazo[1,2-a]purin-7-yl)-3-hydroxy-2-(methoxycarbonylamino)butanoate Traditional Name: 2-(carbomethoxyamino)-3-hydroxy-4-(9-keto-4,6-dimethyl-1H-imidazo[1,2-a]purin-7-yl)butyric acid methyl ester Formula: C16H20N6O6 MolecularWeight: 392.3666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=O)C3=C(N=CN3)N(C2=N1)C)CC(C(C(=O)OC)NC(=O)OC)O

Isomeric SMILES

CC1=C(N2C(=O)C3=C(N=CN3)N(C2=N1)C)CC(C(C(=O)OC)NC(=O)OC)O

InChI

InChI=1S/C16H20N6O6/c1-7-8(5-9(23)10(14(25)27-3)20-16(26)28-4)22-13(24)11-12(18-6-17-11)21(2)15(22)19-7/h6,9-10,23H,5H2,1-4H3,(H,17,18)(H,20,26)