6-(2-methylpropyl)-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-4-one

Systemtic Name: 6-(2-methylpropyl)-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-4-one Openeye Name: 6-isobutyl-5-tetradecyl-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-(2-methylpropyl)-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-4-one IUPAC Name: 6-(2-methylpropyl)-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-4-one Traditional Name: 6-isobutyl-5-myristyl-2-thioxo-1H-pyrimidin-4-one Formula: C22H40N2OS MolecularWeight: 380.6308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)CC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)CC(C)C

InChI

InChI=1S/C22H40N2OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20(17-18(2)3)23-22(26)24-21(19)25/h18H,4-17H2,1-3H3,(H2,23,24,25,26)