4-chloranyl-2-methylsulfanyl-N-(phenylmethyl)-6-[(phenylmethyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 4-chloranyl-2-methylsulfanyl-N-(phenylmethyl)-6-[(phenylmethyl)amino]pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-(benzylamino)-6-chloro-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: 4-chloro-2-(methylthio)-N-(phenylmethyl)-6-[(phenylmethyl)amino]-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-4-(benzylamino)-6-chloro-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: N-benzyl-4-(benzylamino)-6-chloro-2-(methylthio)pyrimidine-5-carboxamide Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)Cl)C(=O)NCC2=CC=CC=C2)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)Cl)C(=O)NCC2=CC=CC=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C20H19ClN4OS/c1-27-20-24-17(21)16(19(26)23-13-15-10-6-3-7-11-15)18(25-20)22-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,23,26)(H,22,24,25)