N-(3-ethynylphenyl)-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-(3-ethynylphenyl)-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-(3-ethynylphenyl)-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-(3-ethynylphenyl)-3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]propanamide IUPAC Name: N-(3-ethynylphenyl)-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-(3-ethynylphenyl)-3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propionamide Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC2=CC=CC(=C2)C#C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC2=CC=CC(=C2)C#C

InChI

InChI=1S/C17H17N3O2S/c1-4-12-6-5-7-13(10-12)19-15(21)9-8-14-11(2)18-17(23-3)20-16(14)22/h1,5-7,10H,8-9H2,2-3H3,(H,19,21)(H,18,20,22)