4-chloranyl-2-methylsulfanyl-6-[(phenylmethyl)amino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide

Systemtic Name: 4-chloranyl-2-methylsulfanyl-6-[(phenylmethyl)amino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide Openeye Name: 4-(benzylamino)-6-chloro-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide CAS Name: 4-chloro-2-(methylthio)-6-[(phenylmethyl)amino]-N-(3-phenylpropyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(benzylamino)-6-chloro-2-methylsulfanyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Traditional Name: 4-(benzylamino)-6-chloro-2-(methylthio)-N-(3-phenylpropyl)pyrimidine-5-carboxamide Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)Cl)C(=O)NCCCC2=CC=CC=C2)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)Cl)C(=O)NCCCC2=CC=CC=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C22H23ClN4OS/c1-29-22-26-19(23)18(20(27-22)25-15-17-11-6-3-7-12-17)21(28)24-14-8-13-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15H2,1H3,(H,24,28)(H,25,26,27)