[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl 4-(dimethylamino)butanoate

Systemtic Name: [3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl 4-(dimethylamino)butanoate Openeye Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl 4-(dimethylamino)butanoate CAS Name: 4-(dimethylamino)butanoic acid [3-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl ester IUPAC Name: [3-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl 4-(dimethylamino)butanoate Traditional Name: 4-(dimethylamino)butyric acid [3-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-cyclobutyl]methyl ester Formula: C17H26N6O4 MolecularWeight: 378.42614

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(=O)OCC1CC(C1CO)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CN(C)CCCC(=O)OCC1CC(C1CO)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C17H26N6O4/c1-22(2)5-3-4-13(25)27-8-10-6-12(11(10)7-24)23-9-19-14-15(23)20-17(18)21-16(14)26/h9-12,24H,3-8H2,1-2H3,(H3,18,20,21,26)