1-[3-[2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[3-[2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone Openeye Name: 1-[3-[2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidin-4-yl]-1-piperidyl]ethanone CAS Name: 1-[3-[2-(2-methoxyethylthio)-5-(3-methoxyphenyl)-4-pyrimidinyl]-1-piperidinyl]ethanone IUPAC Name: 1-[3-[2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone Traditional Name: 1-[3-[2-(2-methoxyethylthio)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidino]ethanone Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC(C1)C2=NC(=NC=C2C3=CC(=CC=C3)OC)SCCOC

Isomeric SMILES

CC(=O)N1CCCC(C1)C2=NC(=NC=C2C3=CC(=CC=C3)OC)SCCOC

InChI

InChI=1S/C21H27N3O3S/c1-15(25)24-9-5-7-17(14-24)20-19(16-6-4-8-18(12-16)27-3)13-22-21(23-20)28-11-10-26-2/h4,6,8,12-13,17H,5,7,9-11,14H2,1-3H3