[3-(2-azanylpurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl 4-(dimethylamino)butanoate

Systemtic Name: [3-(2-azanylpurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl 4-(dimethylamino)butanoate Openeye Name: [3-(2-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl 4-(dimethylamino)butanoate CAS Name: 4-(dimethylamino)butanoic acid [3-(2-amino-9-purinyl)-2-(hydroxymethyl)cyclobutyl]methyl ester IUPAC Name: [3-(2-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl 4-(dimethylamino)butanoate Traditional Name: 4-(dimethylamino)butyric acid [3-(2-aminopurin-9-yl)-2-methylol-cyclobutyl]methyl ester Formula: C17H26N6O3 MolecularWeight: 362.42674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(=O)OCC1CC(C1CO)N2C=NC3=CN=C(N=C32)N

Isomeric SMILES

CN(C)CCCC(=O)OCC1CC(C1CO)N2C=NC3=CN=C(N=C32)N

InChI

InChI=1S/C17H26N6O3/c1-22(2)5-3-4-15(25)26-9-11-6-14(12(11)8-24)23-10-20-13-7-19-17(18)21-16(13)23/h7,10-12,14,24H,3-6,8-9H2,1-2H3,(H2,18,19,21)