2-butan-2-ylsulfanyl-6-(phenylmethyl)-5-prop-2-enyl-1H-pyrimidin-4-one

Systemtic Name: 2-butan-2-ylsulfanyl-6-(phenylmethyl)-5-prop-2-enyl-1H-pyrimidin-4-one Openeye Name: 5-allyl-6-benzyl-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-(phenylmethyl)-5-prop-2-enyl-1H-pyrimidin-4-one IUPAC Name: 6-benzyl-2-butan-2-ylsulfanyl-5-prop-2-enyl-1H-pyrimidin-4-one Traditional Name: 5-allyl-6-benzyl-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=CC=C2)CC=C

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=CC=C2)CC=C

InChI

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