methyl 3-[(6-azanyl-2-butoxy-purin-9-yl)methyl]-4-methoxy-benzoate

Systemtic Name: methyl 3-[(6-azanyl-2-butoxy-purin-9-yl)methyl]-4-methoxy-benzoate Openeye Name: methyl 3-[(6-amino-2-butoxy-purin-9-yl)methyl]-4-methoxy-benzoate CAS Name: 3-[(6-amino-2-butoxy-9-purinyl)methyl]-4-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-[(6-amino-2-butoxypurin-9-yl)methyl]-4-methoxybenzoate Traditional Name: 3-[(6-amino-2-butoxy-purin-9-yl)methyl]-4-methoxy-benzoic acid methyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O4/c1-4-5-8-28-19-22-16(20)15-17(23-19)24(11-21-15)10-13-9-12(18(25)27-3)6-7-14(13)26-2/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,20,22,23)