2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-[5-methyl-2-(2-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-[5-methyl-2-(2-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-[5-methyl-2-(2-pyridylmethylthio)pyrimidin-4-yl]piperidino]methanone Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CC4=C(C=C3)OCCO4)SCC5=CC=CC=N5

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC4=C(C=C3)OCCO4)SCC5=CC=CC=N5

InChI

InChI=1S/C25H26N4O3S/c1-17-14-27-25(33-16-20-6-2-3-9-26-20)28-23(17)19-5-4-10-29(15-19)24(30)18-7-8-21-22(13-18)32-12-11-31-21/h2-3,6-9,13-14,19H,4-5,10-12,15-16H2,1H3/t19-/m0/s1