1-[3-(azepan-3-ylmethyl)pyridin-2-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea hydrochloride

Systemtic Name: 1-[3-(azepan-3-ylmethyl)pyridin-2-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea hydrochloride Openeye Name: 1-[3-(azepan-3-ylmethyl)-2-pyridyl]-3-[2-(4-pyridyl)thiazol-4-yl]urea hydrochloride CAS Name: 1-[3-(3-azepanylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-4-thiazolyl)urea hydrochloride IUPAC Name: 1-[3-(azepan-3-ylmethyl)pyridin-2-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea hydrochloride Traditional Name: 1-[3-(azepan-3-ylmethyl)-2-pyridyl]-3-[2-(4-pyridyl)thiazol-4-yl]urea hydrochloride Formula: C21H25ClN6OS MolecularWeight: 444.9808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNCC(C1)CC2=C(N=CC=C2)NC(=O)NC3=CSC(=N3)C4=CC=NC=C4.Cl

Isomeric SMILES

C1CCNCC(C1)CC2=C(N=CC=C2)NC(=O)NC3=CSC(=N3)C4=CC=NC=C4.Cl

InChI

InChI=1S/C21H24N6OS.ClH/c28-21(26-18-14-29-20(25-18)16-6-10-22-11-7-16)27-19-17(5-3-9-24-19)12-15-4-1-2-8-23-13-15;/h3,5-7,9-11,14-15,23H,1-2,4,8,12-13H2,(H2,24,26,27,28);1H