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

Systemtic Name: N-(cyclopropylmethyl)-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: N-(cyclopropylmethyl)-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: N-(cyclopropylmethyl)-5-[[[4-ethyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-(cyclopropylmethyl)-5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: N-(cyclopropylmethyl)-5-[[[4-ethyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C21H29N5O2S MolecularWeight: 415.55226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2S/c1-3-16-12-19(26-10-8-25(2)9-11-26)24-21(23-16)29-14-17-6-7-18(28-17)20(27)22-13-15-4-5-15/h6-7,12,15H,3-5,8-11,13-14H2,1-2H3,(H,22,27)