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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(=O)OCC1C(CC1N2C=NC3=CN=C(N=C32)N)CO

Isomeric SMILES

CN(C)CCCC(=O)OCC1C(CC1N2C=NC3=CN=C(N=C32)N)CO

InChI

InChI=1S/C17H26N6O3/c1-22(2)5-3-4-15(25)26-9-12-11(8-24)6-14(12)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)