3,6-dimethyl-5-[(3-methylphenyl)methyl]-2-prop-2-ynylsulfanyl-pyrimidin-4-one

Systemtic Name: 3,6-dimethyl-5-[(3-methylphenyl)methyl]-2-prop-2-ynylsulfanyl-pyrimidin-4-one Openeye Name: 3,6-dimethyl-5-(m-tolylmethyl)-2-prop-2-ynylsulfanyl-pyrimidin-4-one CAS Name: 3,6-dimethyl-5-[(3-methylphenyl)methyl]-2-(prop-2-ynylthio)-4-pyrimidinone IUPAC Name: 3,6-dimethyl-5-[(3-methylphenyl)methyl]-2-prop-2-ynylsulfanylpyrimidin-4-one Traditional Name: 3,6-dimethyl-5-(3-methylbenzyl)-2-(propargylthio)pyrimidin-4-one Formula: C17H18N2OS MolecularWeight: 298.40262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCC#C)C

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(N=C(N(C2=O)C)SCC#C)C

InChI

InChI=1S/C17H18N2OS/c1-5-9-21-17-18-13(3)15(16(20)19(17)4)11-14-8-6-7-12(2)10-14/h1,6-8,10H,9,11H2,2-4H3