1-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-[(pyrimidin-2-ylamino)methyl]-1-piperidyl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-[(2-pyrimidinylamino)methyl]-1-piperidinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[4-[(2-pyrimidylamino)methyl]piperidino]-4-(2-thienyl)butan-1-one Formula: C18H24N4OS MolecularWeight: 344.47436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC=CC=N2)C(=O)CCCC3=CC=CS3

Isomeric SMILES

C1CN(CCC1CNC2=NC=CC=N2)C(=O)CCCC3=CC=CS3

InChI

InChI=1S/C18H24N4OS/c23-17(6-1-4-16-5-2-13-24-16)22-11-7-15(8-12-22)14-21-18-19-9-3-10-20-18/h2-3,5,9-10,13,15H,1,4,6-8,11-12,14H2,(H,19,20,21)