1H-indol-6-yl-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone

Systemtic Name: 1H-indol-6-yl-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Openeye Name: 1H-indol-6-yl-[(3S)-3-[5-methyl-2-(2-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methanone CAS Name: 1H-indol-6-yl-[(3S)-3-[5-methyl-2-(2-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]methanone IUPAC Name: 1H-indol-6-yl-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Traditional Name: 1H-indol-6-yl-[(3S)-3-[5-methyl-2-(2-pyridylmethylthio)pyrimidin-4-yl]piperidino]methanone Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CC4=C(C=C3)C=CN4)SCC5=CC=CC=N5

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC4=C(C=C3)C=CN4)SCC5=CC=CC=N5

InChI

InChI=1S/C25H25N5OS/c1-17-14-28-25(32-16-21-6-2-3-10-26-21)29-23(17)20-5-4-12-30(15-20)24(31)19-8-7-18-9-11-27-22(18)13-19/h2-3,6-11,13-14,20,27H,4-5,12,15-16H2,1H3/t20-/m0/s1