3-[2-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-[3-[5-methyl-2-(3-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[3-[5-methyl-2-(3-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-2-oxoethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-[3-[5-methyl-2-(3-pyridylmethylthio)pyrimidin-4-yl]piperidino]ethyl]-1,3-benzoxazol-2-one Formula: C25H25N5O3S MolecularWeight: 475.5627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CN3C4=CC=CC=C4OC3=O)SCC5=CN=CC=C5

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CN3C4=CC=CC=C4OC3=O)SCC5=CN=CC=C5

InChI

InChI=1S/C25H25N5O3S/c1-17-12-27-24(34-16-18-6-4-10-26-13-18)28-23(17)19-7-5-11-29(14-19)22(31)15-30-20-8-2-3-9-21(20)33-25(30)32/h2-4,6,8-10,12-13,19H,5,7,11,14-16H2,1H3