1-[4-(butylamino)-6-methyl-1-phenyl-2-sulfanylidene-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-(butylamino)-6-methyl-1-phenyl-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-(butylamino)-6-methyl-1-phenyl-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[4-(butylamino)-6-methyl-1-phenyl-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-(butylamino)-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[4-(butylamino)-6-methyl-1-phenyl-2-thioxo-pyrimidin-5-yl]ethanone Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=S)N(C(=C1C(=O)C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCNC1=NC(=S)N(C(=C1C(=O)C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H21N3OS/c1-4-5-11-18-16-15(13(3)21)12(2)20(17(22)19-16)14-9-7-6-8-10-14/h6-10H,4-5,11H2,1-3H3,(H,18,19,22)