5-chloranyl-N-(3,3-diphenylpropyl)-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(3,3-diphenylpropyl)-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(3,3-diphenylpropyl)-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(3,3-diphenylpropyl)-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(3,3-diphenylpropyl)-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(3,3-diphenylpropyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3OS/c1-27-21-24-14-18(22)19(25-21)20(26)23-13-12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,23,26)