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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2)C)SCC3=CC=C(O3)C(=O)NCC4CC4

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2)C)SCC3=CC=C(O3)C(=O)NCC4CC4

InChI

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