methyl 2-[[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]methyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]methyl-methyl-amino]ethanoate Openeye Name: methyl 2-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl-methyl-amino]acetate CAS Name: 2-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl-methylamino]acetate Traditional Name: 2-[[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]benzyl]-methyl-amino]acetic acid methyl ester Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN(C)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN(C)CC(=O)OC

InChI

InChI=1S/C21H28N6O4/c1-4-5-10-31-20-24-18(22)17-19(25-20)27(21(29)23-17)12-15-8-6-14(7-9-15)11-26(2)13-16(28)30-3/h6-9H,4-5,10-13H2,1-3H3,(H,23,29)(H2,22,24,25)