N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-(4-methylsulfanylphenyl)pyrimidine-5-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-(4-methylsulfanylphenyl)pyrimidine-5-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-(4-methylsulfanylphenyl)pyrimidine-5-carboxamide CAS Name: N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-(methylthio)-2-[4-(methylthio)phenyl]-5-pyrimidinecarboxamide IUPAC Name: N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-(4-methylsulfanylphenyl)pyrimidine-5-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-(methylthio)-2-[4-(methylthio)phenyl]pyrimidine-5-carboxamide Formula: C23H26N4O2S2 MolecularWeight: 454.60814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=C(C=C3)SC)NCCO)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=C(C=C3)SC)NCCO)C

InChI

InChI=1S/C23H26N4O2S2/c1-14-5-8-17(13-15(14)2)25-22(29)19-21(24-11-12-28)26-20(27-23(19)31-4)16-6-9-18(30-3)10-7-16/h5-10,13,28H,11-12H2,1-4H3,(H,25,29)(H,24,26,27)