2-(4-dimethylaminophenyl)-N-(4-methoxyphenyl)-4-(methylamino)-6-methylsulfanyl-pyrimidine-5-carboxamide

Systemtic Name: 2-(4-dimethylaminophenyl)-N-(4-methoxyphenyl)-4-(methylamino)-6-methylsulfanyl-pyrimidine-5-carboxamide Openeye Name: 2-(4-dimethylaminophenyl)-N-(4-methoxyphenyl)-4-(methylamino)-6-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: 2-(4-dimethylaminophenyl)-N-(4-methoxyphenyl)-4-(methylamino)-6-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: 2-(4-dimethylaminophenyl)-N-(4-methoxyphenyl)-4-(methylamino)-6-methylsulfanylpyrimidine-5-carboxamide Traditional Name: 2-(4-dimethylaminophenyl)-N-(4-methoxyphenyl)-4-(methylamino)-6-(methylthio)pyrimidine-5-carboxamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=NC(=N1)C2=CC=C(C=C2)N(C)C)SC)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CNC1=C(C(=NC(=N1)C2=CC=C(C=C2)N(C)C)SC)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N5O2S/c1-23-20-18(21(28)24-15-8-12-17(29-4)13-9-15)22(30-5)26-19(25-20)14-6-10-16(11-7-14)27(2)3/h6-13H,1-5H3,(H,24,28)(H,23,25,26)