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

Systemtic Name: methyl 2-[3-[(6-azanyl-8-oxidanylidene-2-pentyl-7H-purin-9-yl)methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[(6-amino-8-oxo-2-pentyl-7H-purin-9-yl)methyl]phenyl]acetate CAS Name: 2-[3-[(6-amino-8-oxo-2-pentyl-7H-purin-9-yl)methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(6-amino-8-oxo-2-pentyl-7H-purin-9-yl)methyl]phenyl]acetate Traditional Name: 2-[3-[(6-amino-2-amyl-8-keto-7H-purin-9-yl)methyl]phenyl]acetic acid methyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCCCCC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C20H25N5O3/c1-3-4-5-9-15-22-18(21)17-19(23-15)25(20(27)24-17)12-14-8-6-7-13(10-14)11-16(26)28-2/h6-8,10H,3-5,9,11-12H2,1-2H3,(H,24,27)(H2,21,22,23)