1-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[3-[5-methyl-2-(tetrahydrofuran-2-ylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[3-[5-methyl-2-(2-oxolanylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[3-[5-methyl-2-(tetrahydrofurfurylthio)pyrimidin-4-yl]piperidino]-3-phenyl-prop-2-yn-1-one Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C#CC3=CC=CC=C3)SCC4CCCO4

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C#CC3=CC=CC=C3)SCC4CCCO4

InChI

InChI=1S/C24H27N3O2S/c1-18-15-25-24(30-17-21-10-6-14-29-21)26-23(18)20-9-5-13-27(16-20)22(28)12-11-19-7-3-2-4-8-19/h2-4,7-8,15,20-21H,5-6,9-10,13-14,16-17H2,1H3