[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] 3-(2-acetyloxy-4,6-dimethyl-phenyl)-3-methyl-butanoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] 3-(2-acetyloxy-4,6-dimethyl-phenyl)-3-methyl-butanoate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] 3-(2-acetoxy-4,6-dimethyl-phenyl)-3-methyl-butanoate CAS Name: 3-(2-acetyloxy-4,6-dimethylphenyl)-3-methylbutanoic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] 3-(2-acetyloxy-4,6-dimethylphenyl)-3-methylbutanoate Traditional Name: 3-(2-acetoxy-4,6-dimethyl-phenyl)-3-methyl-butyric acid [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] ester Formula: C24H31N5O7 MolecularWeight: 501.53224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC(=O)C)C(C)(C)CC(=O)OCC(CO)OCN2C=NC3=C2NC(=NC3=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC(=O)C)C(C)(C)CC(=O)OCC(CO)OCN2C=NC3=C2NC(=NC3=O)N)C

InChI

InChI=1S/C24H31N5O7/c1-13-6-14(2)19(17(7-13)36-15(3)31)24(4,5)8-18(32)34-10-16(9-30)35-12-29-11-26-20-21(29)27-23(25)28-22(20)33/h6-7,11,16,30H,8-10,12H2,1-5H3,(H3,25,27,28,33)