5-methyl-6-(3-propan-2-yloctyl)-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-methyl-6-(3-propan-2-yloctyl)-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-(3-isopropyloctyl)-5-methyl-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-methyl-6-(3-propan-2-yloctyl)-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-methyl-6-(3-propan-2-yloctyl)-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-(3-isopropyloctyl)-5-methyl-2-thioxo-1H-pyrimidin-4-one Formula: C16H28N2OS MolecularWeight: 296.47132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1=C(C(=O)NC(=S)N1)C)C(C)C

Isomeric SMILES

CCCCCC(CCC1=C(C(=O)NC(=S)N1)C)C(C)C

InChI

InChI=1S/C16H28N2OS/c1-5-6-7-8-13(11(2)3)9-10-14-12(4)15(19)18-16(20)17-14/h11,13H,5-10H2,1-4H3,(H2,17,18,19,20)