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

Systemtic Name: [4-[[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C22H28ClN5OS MolecularWeight: 446.00862

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCCC4)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCCC4)Cl

InChI

InChI=1S/C22H28ClN5OS/c1-2-26-11-13-27(14-12-26)20-15-19(23)24-22(25-20)30-16-17-5-7-18(8-6-17)21(29)28-9-3-4-10-28/h5-8,15H,2-4,9-14,16H2,1H3