4-methyl-2-methylsulfanyl-N-(3-phenylpropyl)-6-pyridin-3-yl-pyrimidine-5-carboxamide

Systemtic Name: 4-methyl-2-methylsulfanyl-N-(3-phenylpropyl)-6-pyridin-3-yl-pyrimidine-5-carboxamide Openeye Name: 4-methyl-2-methylsulfanyl-N-(3-phenylpropyl)-6-(3-pyridyl)pyrimidine-5-carboxamide CAS Name: 4-methyl-2-(methylthio)-N-(3-phenylpropyl)-6-(3-pyridinyl)-5-pyrimidinecarboxamide IUPAC Name: 4-methyl-2-methylsulfanyl-N-(3-phenylpropyl)-6-pyridin-3-ylpyrimidine-5-carboxamide Traditional Name: 4-methyl-2-(methylthio)-N-(3-phenylpropyl)-6-(3-pyridyl)pyrimidine-5-carboxamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCCCC2=CC=CC=C2)C3=CN=CC=C3)SC

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCCCC2=CC=CC=C2)C3=CN=CC=C3)SC

InChI

InChI=1S/C21H22N4OS/c1-15-18(20(26)23-13-6-10-16-8-4-3-5-9-16)19(25-21(24-15)27-2)17-11-7-12-22-14-17/h3-5,7-9,11-12,14H,6,10,13H2,1-2H3,(H,23,26)