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

Systemtic Name: N-(2-dimethylaminoethyl)-5-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-5-[(4-ethyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxamide CAS Name: N-(2-dimethylaminoethyl)-5-[[[4-ethyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-5-[(4-ethyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-5-[[(4-ethyl-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-2-furamide Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCCN(C)C)N3CCCC3

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCCN(C)C)N3CCCC3

InChI

InChI=1S/C20H29N5O2S/c1-4-15-13-18(25-10-5-6-11-25)23-20(22-15)28-14-16-7-8-17(27-16)19(26)21-9-12-24(2)3/h7-8,13H,4-6,9-12,14H2,1-3H3,(H,21,26)