4-(dimethylamino)butyl 2-[[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]-3-methoxy-phenyl]methyl-methyl-amino]ethanoate

Systemtic Name: 4-(dimethylamino)butyl 2-[[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]-3-methoxy-phenyl]methyl-methyl-amino]ethanoate Openeye Name: 4-(dimethylamino)butyl 2-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-3-methoxy-phenyl]methyl-methyl-amino]acetate CAS Name: 2-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-3-methoxyphenyl]methyl-methylamino]acetic acid 4-(dimethylamino)butyl ester IUPAC Name: 4-(dimethylamino)butyl 2-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-3-methoxyphenyl]methyl-methylamino]acetate Traditional Name: 2-[[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-3-methoxy-benzyl]-methyl-amino]acetic acid 4-(dimethylamino)butyl ester Formula: C27H41N7O5 MolecularWeight: 543.65834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=C(C=C(C=C3)CN(C)CC(=O)OCCCCN(C)C)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=C(C=C(C=C3)CN(C)CC(=O)OCCCCN(C)C)OC

InChI

InChI=1S/C27H41N7O5/c1-6-7-13-39-26-30-24(28)23-25(31-26)34(27(36)29-23)17-20-11-10-19(15-21(20)37-5)16-33(4)18-22(35)38-14-9-8-12-32(2)3/h10-11,15H,6-9,12-14,16-18H2,1-5H3,(H,29,36)(H2,28,30,31)