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

Systemtic Name: methyl 2-[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]piperidin-1-yl]ethanoate Openeye Name: methyl 2-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-1-piperidyl]acetate CAS Name: 2-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-1-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]piperidin-1-yl]acetate Traditional Name: 2-[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]piperidino]acetic acid methyl ester Formula: C18H28N6O4 MolecularWeight: 392.45272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3CCN(CC3)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3CCN(CC3)CC(=O)OC

InChI

InChI=1S/C18H28N6O4/c1-3-4-9-28-17-21-15(19)14-16(22-17)24(18(26)20-14)10-12-5-7-23(8-6-12)11-13(25)27-2/h12H,3-11H2,1-2H3,(H,20,26)(H2,19,21,22)