methyl 2-[4-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propoxymethyl]piperidin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propoxymethyl]piperidin-1-yl]ethanoate Openeye Name: methyl 2-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propoxymethyl]-1-piperidyl]acetate CAS Name: 2-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propoxymethyl]-1-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propoxymethyl]piperidin-1-yl]acetate Traditional Name: 2-[4-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propoxymethyl]piperidino]acetic acid methyl ester Formula: C21H34N6O5 MolecularWeight: 450.53186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCOCC3CCN(CC3)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCOCC3CCN(CC3)CC(=O)OC

InChI

InChI=1S/C21H34N6O5/c1-3-4-12-32-20-24-18(22)17-19(25-20)27(21(29)23-17)8-5-11-31-14-15-6-9-26(10-7-15)13-16(28)30-2/h15H,3-14H2,1-2H3,(H,23,29)(H2,22,24,25)