[3-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[[4-ethyl-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[[[4-ethyl-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C24H33N5OS MolecularWeight: 439.61672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCC3)N4CCN(CC4)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)N3CCCC3)N4CCN(CC4)CC

InChI

InChI=1S/C24H33N5OS/c1-3-21-17-22(28-14-12-27(4-2)13-15-28)26-24(25-21)31-18-19-8-7-9-20(16-19)23(30)29-10-5-6-11-29/h7-9,16-17H,3-6,10-15,18H2,1-2H3