[4-[(6-azanyl-2-butoxy-purin-9-yl)methyl]phenyl] ethanoate

Systemtic Name: [4-[(6-azanyl-2-butoxy-purin-9-yl)methyl]phenyl] ethanoate Openeye Name: [4-[(6-amino-2-butoxy-purin-9-yl)methyl]phenyl] acetate CAS Name: acetic acid [4-[(6-amino-2-butoxy-9-purinyl)methyl]phenyl] ester IUPAC Name: [4-[(6-amino-2-butoxypurin-9-yl)methyl]phenyl] acetate Traditional Name: acetic acid [4-[(6-amino-2-butoxy-purin-9-yl)methyl]phenyl] ester Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O3/c1-3-4-9-25-18-21-16(19)15-17(22-18)23(11-20-15)10-13-5-7-14(8-6-13)26-12(2)24/h5-8,11H,3-4,9-10H2,1-2H3,(H2,19,21,22)