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

Systemtic Name: [5-[[4-tert-butyl-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-tert-butyl-pyrimidin-2-yl]sulfanylmethyl]-2-furyl]-pyrrolidin-1-yl-methanone CAS Name: [5-[[[4-tert-butyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-2-furanyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-[[4-(4-benzylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone Traditional Name: [5-[[[4-(4-benzylpiperazino)-6-tert-butyl-pyrimidin-2-yl]thio]methyl]-2-furyl]-pyrrolidino-methanone Formula: C29H37N5O2S MolecularWeight: 519.70138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H37N5O2S/c1-29(2,3)25-19-26(33-17-15-32(16-18-33)20-22-9-5-4-6-10-22)31-28(30-25)37-21-23-11-12-24(36-23)27(35)34-13-7-8-14-34/h4-6,9-12,19H,7-8,13-18,20-21H2,1-3H3