5-[[4-tert-butyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)furan-2-carboxamide

Systemtic Name: 5-[[4-tert-butyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)furan-2-carboxamide Openeye Name: 5-[[4-(4-benzylpiperazin-1-yl)-6-tert-butyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)furan-2-carboxamide CAS Name: 5-[[[4-tert-butyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(2-dimethylaminoethyl)-2-furancarboxamide IUPAC Name: 5-[[4-(4-benzylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)furan-2-carboxamide Traditional Name: 5-[[[4-(4-benzylpiperazino)-6-tert-butyl-pyrimidin-2-yl]thio]methyl]-N-(2-dimethylaminoethyl)-2-furamide Formula: C29H40N6O2S MolecularWeight: 536.7319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCCN(C)C)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCCN(C)C)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H40N6O2S/c1-29(2,3)25-19-26(35-17-15-34(16-18-35)20-22-9-7-6-8-10-22)32-28(31-25)38-21-23-11-12-24(37-23)27(36)30-13-14-33(4)5/h6-12,19H,13-18,20-21H2,1-5H3,(H,30,36)