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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

InChI

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