2-pentylsulfanyl-6-phenyl-5-prop-2-enyl-1H-pyrimidin-4-one

Systemtic Name: 2-pentylsulfanyl-6-phenyl-5-prop-2-enyl-1H-pyrimidin-4-one Openeye Name: 5-allyl-2-pentylsulfanyl-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-(pentylthio)-6-phenyl-5-prop-2-enyl-1H-pyrimidin-4-one IUPAC Name: 2-pentylsulfanyl-6-phenyl-5-prop-2-enyl-1H-pyrimidin-4-one Traditional Name: 5-allyl-2-(amylthio)-6-phenyl-1H-pyrimidin-4-one Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)CC=C

Isomeric SMILES

CCCCCSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)CC=C

InChI

InChI=1S/C18H22N2OS/c1-3-5-9-13-22-18-19-16(14-11-7-6-8-12-14)15(10-4-2)17(21)20-18/h4,6-8,11-12H,2-3,5,9-10,13H2,1H3,(H,19,20,21)