N-(3,4-dimethylphenyl)-2-(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanyl-hexanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanyl-hexanamide Openeye Name: N-(3,4-dimethylphenyl)-2-(4-ethyl-1-methyl-6-oxo-pyrimidin-2-yl)sulfanyl-hexanamide CAS Name: N-(3,4-dimethylphenyl)-2-[(4-ethyl-1-methyl-6-oxo-2-pyrimidinyl)thio]hexanamide IUPAC Name: N-(3,4-dimethylphenyl)-2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylhexanamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(4-ethyl-6-keto-1-methyl-pyrimidin-2-yl)thio]hexanamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC(=C(C=C1)C)C)SC2=NC(=CC(=O)N2C)CC

Isomeric SMILES

CCCCC(C(=O)NC1=CC(=C(C=C1)C)C)SC2=NC(=CC(=O)N2C)CC

InChI

InChI=1S/C21H29N3O2S/c1-6-8-9-18(20(26)22-17-11-10-14(3)15(4)12-17)27-21-23-16(7-2)13-19(25)24(21)5/h10-13,18H,6-9H2,1-5H3,(H,22,26)