[5-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [5-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-pyrrolidin-1-yl-methanone Openeye Name: [5-[[4-(4-benzylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-2-furyl]-pyrrolidin-1-yl-methanone CAS Name: [5-[[[4-ethyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-2-furanyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-[[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone Traditional Name: [5-[[[4-(4-benzylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-2-furyl]-pyrrolidino-methanone Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H33N5O2S/c1-2-22-18-25(31-16-14-30(15-17-31)19-21-8-4-3-5-9-21)29-27(28-22)35-20-23-10-11-24(34-23)26(33)32-12-6-7-13-32/h3-5,8-11,18H,2,6-7,12-17,19-20H2,1H3