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

Systemtic Name: N-(2-dimethylaminoethyl)-5-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: 5-[[4-(4-benzylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)furan-2-carboxamide CAS Name: N-(2-dimethylaminoethyl)-5-[[[4-ethyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: 5-[[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(2-dimethylaminoethyl)furan-2-carboxamide Traditional Name: 5-[[[4-(4-benzylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-(2-dimethylaminoethyl)-2-furamide Formula: C27H36N6O2S MolecularWeight: 508.67874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCCN(C)C)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCCN(C)C)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H36N6O2S/c1-4-22-18-25(33-16-14-32(15-17-33)19-21-8-6-5-7-9-21)30-27(29-22)36-20-23-10-11-24(35-23)26(34)28-12-13-31(2)3/h5-11,18H,4,12-17,19-20H2,1-3H3,(H,28,34)