ethyl 3-[[1-(7H-purin-6-yl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-(7H-purin-6-yl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(7H-purin-6-yl)piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[1-(7H-purin-6-yl)-4-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(7H-purin-6-yl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(7H-purin-6-yl)isonipecotoyl]amino]benzoic acid ethyl ester Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=NC=NC4=C3NC=N4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C20H22N6O3/c1-2-29-20(28)14-4-3-5-15(10-14)25-19(27)13-6-8-26(9-7-13)18-16-17(22-11-21-16)23-12-24-18/h3-5,10-13H,2,6-9H2,1H3,(H,25,27)(H,21,22,23,24)