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

Systemtic Name: methyl (2S,3R)-4-[4,6-dimethyl-9-oxidanylidene-1-(phenylmethyl)imidazo[1,2-a]purin-7-yl]-2-(methoxycarbonylamino)-3-oxidanyl-butanoate Openeye Name: methyl (2S,3R)-4-(1-benzyl-4,6-dimethyl-9-oxo-imidazo[1,2-a]purin-7-yl)-3-hydroxy-2-(methoxycarbonylamino)butanoate CAS Name: (2S,3R)-4-[4,6-dimethyl-9-oxo-1-(phenylmethyl)-7-imidazo[1,2-a]purinyl]-3-hydroxy-2-(methoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl (2S,3R)-4-(1-benzyl-4,6-dimethyl-9-oxoimidazo[1,2-a]purin-7-yl)-3-hydroxy-2-(methoxycarbonylamino)butanoate Traditional Name: (2S,3R)-4-(1-benzyl-9-keto-4,6-dimethyl-imidazo[1,2-a]purin-7-yl)-2-(carbomethoxyamino)-3-hydroxy-butyric acid methyl ester Formula: C23H26N6O6 MolecularWeight: 482.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=N1)C)CC(C(C(=O)OC)NC(=O)OC)O

Isomeric SMILES

CC1=C(N2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=N1)C)C[C@H]([C@@H](C(=O)OC)NC(=O)OC)O

InChI

InChI=1S/C23H26N6O6/c1-13-15(10-16(30)17(21(32)34-3)26-23(33)35-4)29-20(31)18-19(27(2)22(29)25-13)24-12-28(18)11-14-8-6-5-7-9-14/h5-9,12,16-17,30H,10-11H2,1-4H3,(H,26,33)/t16-,17+/m1/s1