ethyl 4-[[9-(thiophen-2-ylmethyl)purin-8-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[9-(thiophen-2-ylmethyl)purin-8-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[9-(2-thienylmethyl)purin-8-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[9-(thiophen-2-ylmethyl)-8-purinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[9-(thiophen-2-ylmethyl)purin-8-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[9-(2-thenyl)purin-8-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC3=CN=CN=C3N2CC4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC3=CN=CN=C3N2CC4=CC=CS4

InChI

InChI=1S/C18H22N6O2S/c1-2-26-18(25)23-7-5-13(6-8-23)21-17-22-15-10-19-12-20-16(15)24(17)11-14-4-3-9-27-14/h3-4,9-10,12-13H,2,5-8,11H2,1H3,(H,21,22)