ethyl 4-[[9-(1,3-thiazol-4-ylmethyl)purin-8-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[9-(1,3-thiazol-4-ylmethyl)purin-8-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[9-(thiazol-4-ylmethyl)purin-8-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[9-(4-thiazolylmethyl)-8-purinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[9-(1,3-thiazol-4-ylmethyl)purin-8-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[9-(thiazol-4-ylmethyl)purin-8-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C17H21N7O2S MolecularWeight: 387.45934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC3=CN=CN=C3N2CC4=CSC=N4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC3=CN=CN=C3N2CC4=CSC=N4

InChI

InChI=1S/C17H21N7O2S/c1-2-26-17(25)23-5-3-12(4-6-23)21-16-22-14-7-18-10-19-15(14)24(16)8-13-9-27-11-20-13/h7,9-12H,2-6,8H2,1H3,(H,21,22)