ethyl 4-[1-(7H-purin-6-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(7H-purin-6-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(7H-purin-6-yl)piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[1-(7H-purin-6-yl)-4-piperidinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(7H-purin-6-yl)piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(7H-purin-6-yl)isonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H25N7O3 MolecularWeight: 387.4362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=NC4=C3NC=N4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H25N7O3/c1-2-28-18(27)25-9-7-24(8-10-25)17(26)13-3-5-23(6-4-13)16-14-15(20-11-19-14)21-12-22-16/h11-13H,2-10H2,1H3,(H,19,20,21,22)