2-methylsulfanyl-4-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-4-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Openeye Name: 2-methylsulfanyl-4-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-4-phenyl-N-(3-phenylpropyl)-5-pyrimidinecarboxamide IUPAC Name: 2-methylsulfanyl-4-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-4-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c1-26-21-23-15-18(19(24-21)17-12-6-3-7-13-17)20(25)22-14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13,15H,8,11,14H2,1H3,(H,22,25)