2-[4-[[9-(thiophen-2-ylmethyl)purin-8-yl]amino]piperidin-1-yl]ethylcarbamic acid

Systemtic Name: 2-[4-[[9-(thiophen-2-ylmethyl)purin-8-yl]amino]piperidin-1-yl]ethylcarbamic acid Openeye Name: 2-[4-[[9-(2-thienylmethyl)purin-8-yl]amino]-1-piperidyl]ethylcarbamic acid CAS Name: 2-[4-[[9-(thiophen-2-ylmethyl)-8-purinyl]amino]-1-piperidinyl]ethylcarbamic acid IUPAC Name: 2-[4-[[9-(thiophen-2-ylmethyl)purin-8-yl]amino]piperidin-1-yl]ethylcarbamic acid Traditional Name: 2-[4-[[9-(2-thenyl)purin-8-yl]amino]piperidino]ethylcarbamic acid Formula: C18H23N7O2S MolecularWeight: 401.48592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=CN=CN=C3N2CC4=CC=CS4)CCNC(=O)O

Isomeric SMILES

C1CN(CCC1NC2=NC3=CN=CN=C3N2CC4=CC=CS4)CCNC(=O)O

InChI

InChI=1S/C18H23N7O2S/c26-18(27)20-5-8-24-6-3-13(4-7-24)22-17-23-15-10-19-12-21-16(15)25(17)11-14-2-1-9-28-14/h1-2,9-10,12-13,20H,3-8,11H2,(H,22,23)(H,26,27)