1-[4-[6-ethyl-2-[(5-pyrrolidin-1-ylcarbonylfuran-2-yl)methylsulfanyl]pyrimidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[6-ethyl-2-[(5-pyrrolidin-1-ylcarbonylfuran-2-yl)methylsulfanyl]pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[6-ethyl-2-[[5-(pyrrolidine-1-carbonyl)-2-furyl]methylsulfanyl]pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[6-ethyl-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-furanyl]methylthio]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[6-ethyl-2-[[5-(pyrrolidine-1-carbonyl)furan-2-yl]methylsulfanyl]pyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[6-ethyl-2-[[5-(pyrrolidine-1-carbonyl)-2-furyl]methylthio]pyrimidin-4-yl]piperazino]ethanone Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC3)N4CCN(CC4)C(=O)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC3)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C22H29N5O3S/c1-3-17-14-20(26-12-10-25(11-13-26)16(2)28)24-22(23-17)31-15-18-6-7-19(30-18)21(29)27-8-4-5-9-27/h6-7,14H,3-5,8-13,15H2,1-2H3