2-methylsulfanyl-N-(phenylmethyl)-4-propyl-pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-N-(phenylmethyl)-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-benzyl-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-N-(phenylmethyl)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-benzyl-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2)SC

InChI

InChI=1S/C16H19N3OS/c1-3-7-14-13(11-18-16(19-14)21-2)15(20)17-10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,17,20)