4-chloranyl-2-methylsulfanyl-N-phenethyl-6-(3-phenylpropylamino)pyrimidine-5-carboxamide

Systemtic Name: 4-chloranyl-2-methylsulfanyl-N-phenethyl-6-(3-phenylpropylamino)pyrimidine-5-carboxamide Openeye Name: 4-chloro-2-methylsulfanyl-N-phenethyl-6-(3-phenylpropylamino)pyrimidine-5-carboxamide CAS Name: 4-chloro-2-(methylthio)-N-phenethyl-6-(3-phenylpropylamino)-5-pyrimidinecarboxamide IUPAC Name: 4-chloro-2-methylsulfanyl-N-phenethyl-6-(3-phenylpropylamino)pyrimidine-5-carboxamide Traditional Name: 4-chloro-2-(methylthio)-N-phenethyl-6-(3-phenylpropylamino)pyrimidine-5-carboxamide Formula: C23H25ClN4OS MolecularWeight: 440.9888

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)Cl)C(=O)NCCC2=CC=CC=C2)NCCCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)Cl)C(=O)NCCC2=CC=CC=C2)NCCCC3=CC=CC=C3

InChI

InChI=1S/C23H25ClN4OS/c1-30-23-27-20(24)19(22(29)26-16-14-18-11-6-3-7-12-18)21(28-23)25-15-8-13-17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3,(H,26,29)(H,25,27,28)