N-(cyclopropylmethyl)-5-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide

Systemtic Name: N-(cyclopropylmethyl)-5-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: N-(cyclopropylmethyl)-5-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: N-(cyclopropylmethyl)-5-[[[4-ethyl-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-(cyclopropylmethyl)-5-[[4-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: N-(cyclopropylmethyl)-5-[[[4-ethyl-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3CC3)N4CCN(CC4)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3CC3)N4CCN(CC4)CC

InChI

InChI=1S/C22H31N5O2S/c1-3-17-13-20(27-11-9-26(4-2)10-12-27)25-22(24-17)30-15-18-7-8-19(29-18)21(28)23-14-16-5-6-16/h7-8,13,16H,3-6,9-12,14-15H2,1-2H3,(H,23,28)