N-cyclopropyl-5-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide

Systemtic Name: N-cyclopropyl-5-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: N-cyclopropyl-5-[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: N-cyclopropyl-5-[[[4-(diethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-cyclopropyl-5-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: N-cyclopropyl-5-[[[4-(diethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(O3)C(=O)NC4CC4

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(O3)C(=O)NC4CC4

InChI

InChI=1S/C23H26N4O2S/c1-3-27(4-2)21-14-19(16-8-6-5-7-9-16)25-23(26-21)30-15-18-12-13-20(29-18)22(28)24-17-10-11-17/h5-9,12-14,17H,3-4,10-11,15H2,1-2H3,(H,24,28)