4-chloranyl-2-methylsulfanyl-6-(phenethylamino)-N-(phenylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 4-chloranyl-2-methylsulfanyl-6-(phenethylamino)-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-chloro-2-methylsulfanyl-6-(phenethylamino)pyrimidine-5-carboxamide CAS Name: 4-chloro-2-(methylthio)-6-(phenethylamino)-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-4-chloro-2-methylsulfanyl-6-(phenethylamino)pyrimidine-5-carboxamide Traditional Name: N-benzyl-4-chloro-2-(methylthio)-6-(phenethylamino)pyrimidine-5-carboxamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)Cl)C(=O)NCC2=CC=CC=C2)NCCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)Cl)C(=O)NCC2=CC=CC=C2)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4OS/c1-28-21-25-18(22)17(20(27)24-14-16-10-6-3-7-11-16)19(26-21)23-13-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,24,27)(H,23,25,26)