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

Systemtic Name: methyl 2-[2-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]ethanoate Openeye Name: methyl 2-[2-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetate CAS Name: 2-[2-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]acetate Traditional Name: 2-[2-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]phenyl]acetic acid methyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3CC(=O)OC

InChI

InChI=1S/C19H23N5O4/c1-3-4-9-28-18-22-16(20)15-17(23-18)24(19(26)21-15)11-13-8-6-5-7-12(13)10-14(25)27-2/h5-8H,3-4,9-11H2,1-2H3,(H,21,26)(H2,20,22,23)