6-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-prop-2-enyl-2-prop-2-enylsulfanyl-pyrimidin-4-one

Systemtic Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-prop-2-enyl-2-prop-2-enylsulfanyl-pyrimidin-4-one Openeye Name: 3-allyl-2-allylsulfanyl-6-[(3,5-dimethylphenyl)methyl]-5-ethyl-pyrimidin-4-one CAS Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-prop-2-enyl-2-(prop-2-enylthio)-4-pyrimidinone IUPAC Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-3-prop-2-enyl-2-prop-2-enylsulfanylpyrimidin-4-one Traditional Name: 3-allyl-2-(allylthio)-6-(3,5-dimethylbenzyl)-5-ethyl-pyrimidin-4-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N(C1=O)CC=C)SCC=C)CC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC1=C(N=C(N(C1=O)CC=C)SCC=C)CC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C21H26N2OS/c1-6-9-23-20(24)18(8-3)19(22-21(23)25-10-7-2)14-17-12-15(4)11-16(5)13-17/h6-7,11-13H,1-2,8-10,14H2,3-5H3