[2-azanyl-1-cyclobutyl-2-(hydroxymethyl)-6-oxidanylidene-7H-purin-3-yl]methyl 4-(dimethylamino)butanoate hydrochloride

Systemtic Name: [2-azanyl-1-cyclobutyl-2-(hydroxymethyl)-6-oxidanylidene-7H-purin-3-yl]methyl 4-(dimethylamino)butanoate hydrochloride Openeye Name: [2-amino-1-cyclobutyl-2-(hydroxymethyl)-6-oxo-7H-purin-3-yl]methyl 4-(dimethylamino)butanoate hydrochloride CAS Name: 4-(dimethylamino)butanoic acid [2-amino-1-cyclobutyl-2-(hydroxymethyl)-6-oxo-7H-purin-3-yl]methyl ester hydrochloride IUPAC Name: [2-amino-1-cyclobutyl-2-(hydroxymethyl)-6-oxo-7H-purin-3-yl]methyl 4-(dimethylamino)butanoate hydrochloride Traditional Name: 4-(dimethylamino)butyric acid (2-amino-1-cyclobutyl-6-keto-2-methylol-7H-purin-3-yl)methyl ester hydrochloride Formula: C17H29ClN6O4 MolecularWeight: 416.90296

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(=O)OCN1C2=C(C(=O)N(C1(CO)N)C3CCC3)NC=N2.Cl

Isomeric SMILES

CN(C)CCCC(=O)OCN1C2=C(C(=O)N(C1(CO)N)C3CCC3)NC=N2.Cl

InChI

InChI=1S/C17H28N6O4.ClH/c1-21(2)8-4-7-13(25)27-11-22-15-14(19-10-20-15)16(26)23(12-5-3-6-12)17(22,18)9-24;/h10,12,24H,3-9,11,18H2,1-2H3,(H,19,20);1H