methyl 2-[3-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]phenyl]acetate CAS Name: 2-[3-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]phenyl]acetate Traditional Name: 2-[3-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl]phenyl]acetic acid methyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C21H27N5O4/c1-3-4-11-30-20-24-18(22)17-19(25-20)26(21(28)23-17)10-6-9-14-7-5-8-15(12-14)13-16(27)29-2/h5,7-8,12H,3-4,6,9-11,13H2,1-2H3,(H,23,28)(H2,22,24,25)