1-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[3-[5-methyl-2-(tetrahydrofuran-2-ylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-4-(2-thienyl)butan-1-one CAS Name: 1-[3-[5-methyl-2-(2-oxolanylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[3-[5-methyl-2-(tetrahydrofurfurylthio)pyrimidin-4-yl]piperidino]-4-(2-thienyl)butan-1-one Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CCCC3=CC=CS3)SCC4CCCO4

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CCCC3=CC=CS3)SCC4CCCO4

InChI

InChI=1S/C23H31N3O2S2/c1-17-14-24-23(30-16-19-7-4-12-28-19)25-22(17)18-6-3-11-26(15-18)21(27)10-2-8-20-9-5-13-29-20/h5,9,13-14,18-19H,2-4,6-8,10-12,15-16H2,1H3