3-[[5-cyano-6-(2,2-dimethylpropylamino)-2-methylsulfanyl-pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide

Systemtic Name: 3-[[5-cyano-6-(2,2-dimethylpropylamino)-2-methylsulfanyl-pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide Openeye Name: 3-[[5-cyano-6-(2,2-dimethylpropylamino)-2-methylsulfanyl-pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide CAS Name: 3-[[5-cyano-6-(2,2-dimethylpropylamino)-2-(methylthio)-4-pyrimidinyl]amino]-N,4-dimethylbenzamide IUPAC Name: 3-[[5-cyano-6-(2,2-dimethylpropylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-N,4-dimethylbenzamide Traditional Name: 3-[[5-cyano-2-(methylthio)-6-(neopentylamino)pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide Formula: C20H26N6OS MolecularWeight: 398.52504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC)NC2=C(C(=NC(=N2)SC)NCC(C)(C)C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC)NC2=C(C(=NC(=N2)SC)NCC(C)(C)C)C#N

InChI

InChI=1S/C20H26N6OS/c1-12-7-8-13(18(27)22-5)9-15(12)24-17-14(10-21)16(23-11-20(2,3)4)25-19(26-17)28-6/h7-9H,11H2,1-6H3,(H,22,27)(H2,23,24,25,26)