4,5-dimethyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[1-oxo-3-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[3-[(6-phenylpyrimidin-4-yl)thio]propanoylamino]thiophene-3-carboxamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H20N4O2S2/c1-12-13(2)28-20(18(12)19(21)26)24-16(25)8-9-27-17-10-15(22-11-23-17)14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H2,21,26)(H,24,25)