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

Systemtic Name: [5-[[4-tert-butyl-6-[methyl-(phenylmethyl)amino]pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-pyrrolidin-1-yl-methanone Openeye Name: [5-[[4-[benzyl(methyl)amino]-6-tert-butyl-pyrimidin-2-yl]sulfanylmethyl]-2-furyl]-pyrrolidin-1-yl-methanone CAS Name: [5-[[[4-tert-butyl-6-[methyl-(phenylmethyl)amino]-2-pyrimidinyl]thio]methyl]-2-furanyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-[[4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone Traditional Name: [5-[[[4-[benzyl(methyl)amino]-6-tert-butyl-pyrimidin-2-yl]thio]methyl]-2-furyl]-pyrrolidino-methanone Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC3)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCCC3)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2S/c1-26(2,3)22-16-23(29(4)17-19-10-6-5-7-11-19)28-25(27-22)33-18-20-12-13-21(32-20)24(31)30-14-8-9-15-30/h5-7,10-13,16H,8-9,14-15,17-18H2,1-4H3