3-[3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C17H20N4O2S/c1-2-6-12-11-15(22)20-16(18-12)24-10-5-9-21-14-8-4-3-7-13(14)19-17(21)23/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,23)(H,18,20,22)