methyl 3-[(9-methyl-6-piperidin-1-yl-purin-8-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-[(9-methyl-6-piperidin-1-yl-purin-8-yl)carbonylamino]propanoate Openeye Name: methyl 3-[[9-methyl-6-(1-piperidyl)purine-8-carbonyl]amino]propanoate CAS Name: 3-[[[9-methyl-6-(1-piperidinyl)-8-purinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(9-methyl-6-piperidin-1-ylpurine-8-carbonyl)amino]propanoate Traditional Name: 3-[(9-methyl-6-piperidino-purine-8-carbonyl)amino]propionic acid methyl ester Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC=N2)N3CCCCC3)N=C1C(=O)NCCC(=O)OC

Isomeric SMILES

CN1C2=C(C(=NC=N2)N3CCCCC3)N=C1C(=O)NCCC(=O)OC

InChI

InChI=1S/C16H22N6O3/c1-21-13-12(14(19-10-18-13)22-8-4-3-5-9-22)20-15(21)16(24)17-7-6-11(23)25-2/h10H,3-9H2,1-2H3,(H,17,24)