1,3-benzodioxol-5-yl-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-3-[5-methyl-2-(2-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-3-[5-methyl-2-(2-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-3-[5-methyl-2-(2-pyridylmethylthio)pyrimidin-4-yl]piperidino]methanone Formula: C24H24N4O3S MolecularWeight: 448.53736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CC4=C(C=C3)OCO4)SCC5=CC=CC=N5

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC4=C(C=C3)OCO4)SCC5=CC=CC=N5

InChI

InChI=1S/C24H24N4O3S/c1-16-12-26-24(32-14-19-6-2-3-9-25-19)27-22(16)18-5-4-10-28(13-18)23(29)17-7-8-20-21(11-17)31-15-30-20/h2-3,6-9,11-12,18H,4-5,10,13-15H2,1H3/t18-/m0/s1