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

Systemtic Name: 5-[(4-methoxyphenyl)methyl]-3,6-dimethyl-2-prop-2-ynylsulfanyl-pyrimidin-4-one Openeye Name: 5-[(4-methoxyphenyl)methyl]-3,6-dimethyl-2-prop-2-ynylsulfanyl-pyrimidin-4-one CAS Name: 5-[(4-methoxyphenyl)methyl]-3,6-dimethyl-2-(prop-2-ynylthio)-4-pyrimidinone IUPAC Name: 5-[(4-methoxyphenyl)methyl]-3,6-dimethyl-2-prop-2-ynylsulfanylpyrimidin-4-one Traditional Name: 3,6-dimethyl-5-p-anisyl-2-(propargylthio)pyrimidin-4-one Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC#C)C)CC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC#C)C)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H18N2O2S/c1-5-10-22-17-18-12(2)15(16(20)19(17)3)11-13-6-8-14(21-4)9-7-13/h1,6-9H,10-11H2,2-4H3