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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NC3CC3)N4CCN(CC4)C

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NC3CC3)N4CCN(CC4)C

InChI

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