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

Systemtic Name: methyl 3-[3-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]piperidin-1-yl]propanoate Openeye Name: methyl 3-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-1-piperidyl]propanoate CAS Name: 3-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-1-piperidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]piperidin-1-yl]propanoate Traditional Name: 3-[3-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]piperidino]propionic acid methyl ester Formula: C19H30N6O4 MolecularWeight: 406.4793

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3CCCN(C3)CCC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3CCCN(C3)CCC(=O)OC

InChI

InChI=1S/C19H30N6O4/c1-3-4-10-29-18-22-16(20)15-17(23-18)25(19(27)21-15)12-13-6-5-8-24(11-13)9-7-14(26)28-2/h13H,3-12H2,1-2H3,(H,21,27)(H2,20,22,23)