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

Systemtic Name: [3-[[4-(4-ethylpiperazin-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[[4-(4-ethylpiperazin-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[[4-(4-ethyl-1-piperazinyl)-6-methyl-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[[[4-(4-ethylpiperazino)-6-methyl-pyrimidin-2-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5OS/c1-3-26-11-13-27(14-12-26)21-15-18(2)24-23(25-21)30-17-19-7-6-8-20(16-19)22(29)28-9-4-5-10-28/h6-8,15-16H,3-5,9-14,17H2,1-2H3