2-(2-oxidanylidene-1,2-diphenyl-ethyl)sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-(2-oxidanylidene-1,2-diphenyl-ethyl)sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-(2-oxo-1,2-diphenyl-ethyl)sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(2-oxo-1,2-diphenylethyl)thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-(2-oxo-1,2-diphenylethyl)sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-(desylthio)-6-propyl-1H-pyrimidin-4-one Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2S/c1-2-9-17-14-18(24)23-21(22-17)26-20(16-12-7-4-8-13-16)19(25)15-10-5-3-6-11-15/h3-8,10-14,20H,2,9H2,1H3,(H,22,23,24)