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

Systemtic Name: 2-methylsulfanyl-N-(3-phenylpropyl)-4-propyl-pyrimidine-5-carboxamide Openeye Name: 2-methylsulfanyl-N-(3-phenylpropyl)-4-propyl-pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-N-(3-phenylpropyl)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: 2-methylsulfanyl-N-(3-phenylpropyl)-4-propylpyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-N-(3-phenylpropyl)-4-propyl-pyrimidine-5-carboxamide Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NCCCC2=CC=CC=C2)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NCCCC2=CC=CC=C2)SC

InChI

InChI=1S/C18H23N3OS/c1-3-8-16-15(13-20-18(21-16)23-2)17(22)19-12-7-11-14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,19,22)