N-[1-(2-isothiocyanatoethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine

Systemtic Name: N-[1-(2-isothiocyanatoethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine Openeye Name: N-[1-(2-isothiocyanatoethyl)-4-piperidyl]-3-(2-pyridylmethyl)imidazo[4,5-b]pyridin-2-amine CAS Name: N-[1-(2-isothiocyanatoethyl)-4-piperidinyl]-3-(2-pyridinylmethyl)-2-imidazo[4,5-b]pyridinamine IUPAC Name: N-[1-(2-isothiocyanatoethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine Traditional Name: [1-(2-isothiocyanatoethyl)-4-piperidyl]-[3-(2-pyridylmethyl)imidazo[4,5-b]pyridin-2-yl]amine Formula: C20H23N7S MolecularWeight: 393.50852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=C(N2CC4=CC=CC=N4)N=CC=C3)CCN=C=S

Isomeric SMILES

C1CN(CCC1NC2=NC3=C(N2CC4=CC=CC=N4)N=CC=C3)CCN=C=S

InChI

InChI=1S/C20H23N7S/c28-15-21-10-13-26-11-6-16(7-12-26)24-20-25-18-5-3-9-23-19(18)27(20)14-17-4-1-2-8-22-17/h1-5,8-9,16H,6-7,10-14H2,(H,24,25)