N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(4,5-dimethylthiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(4,5-dimethyl-2-thiazolyl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(4,5-dimethylthiazol-2-yl)-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butyramide Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C)C)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C)C)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H22N4OS2/c1-5-17(19(25)24-20-21-12(2)13(3)26-20)27-18-11-16(22-14(4)23-18)15-9-7-6-8-10-15/h6-11,17H,5H2,1-4H3,(H,21,24,25)