2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: 2-[2-[(2,5-dimethylphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-prop-2-enylacetamide IUPAC Name: 2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[2-[(2,5-dimethylbenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C=C(N2)CC(=O)NCC=C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C=C(N2)CC(=O)NCC=C

InChI

InChI=1S/C18H21N3O2S/c1-4-7-19-16(22)9-15-10-17(23)21-18(20-15)24-11-14-8-12(2)5-6-13(14)3/h4-6,8,10H,1,7,9,11H2,2-3H3,(H,19,22)(H,20,21,23)