dimethyl 4-[(6-azanyl-2-butoxy-purin-9-yl)methyl]benzene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-[(6-azanyl-2-butoxy-purin-9-yl)methyl]benzene-1,2-dicarboxylate Openeye Name: dimethyl 4-[(6-amino-2-butoxy-purin-9-yl)methyl]benzene-1,2-dicarboxylate CAS Name: 4-[(6-amino-2-butoxy-9-purinyl)methyl]benzene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[(6-amino-2-butoxypurin-9-yl)methyl]benzene-1,2-dicarboxylate Traditional Name: 4-[(6-amino-2-butoxy-purin-9-yl)methyl]benzene-1,2-dicarboxylic acid dimethyl ester Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=C(C=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=C(C=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H23N5O5/c1-4-5-8-30-20-23-16(21)15-17(24-20)25(11-22-15)10-12-6-7-13(18(26)28-2)14(9-12)19(27)29-3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,21,23,24)