1H-indol-2-yl-[(3S)-3-[5-methyl-2-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrimidin-4-yl]piperidin-1-yl]methanone

Systemtic Name: 1H-indol-2-yl-[(3S)-3-[5-methyl-2-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrimidin-4-yl]piperidin-1-yl]methanone Openeye Name: 1H-indol-2-yl-[(3S)-3-[5-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]pyrimidin-4-yl]-1-piperidyl]methanone CAS Name: 1H-indol-2-yl-[(3S)-3-[5-methyl-2-[[(2R)-2-oxolanyl]methylthio]-4-pyrimidinyl]-1-piperidinyl]methanone IUPAC Name: 1H-indol-2-yl-[(3S)-3-[5-methyl-2-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrimidin-4-yl]piperidin-1-yl]methanone Traditional Name: 1H-indol-2-yl-[(3S)-3-[5-methyl-2-[[(2R)-tetrahydrofuran-2-yl]methylthio]pyrimidin-4-yl]piperidino]methanone Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CC4=CC=CC=C4N3)SCC5CCCO5

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC4=CC=CC=C4N3)SC[C@H]5CCCO5

InChI

InChI=1S/C24H28N4O2S/c1-16-13-25-24(31-15-19-8-5-11-30-19)27-22(16)18-7-4-10-28(14-18)23(29)21-12-17-6-2-3-9-20(17)26-21/h2-3,6,9,12-13,18-19,26H,4-5,7-8,10-11,14-15H2,1H3/t18-,19+/m0/s1