N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(methylthio)-4-phenyl-pyrimidine-5-carboxamide Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)NCCCN3CCC4=CC=CC=C4C3

Isomeric SMILES

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)NCCCN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H26N4OS/c1-30-24-26-16-21(22(27-24)19-9-3-2-4-10-19)23(29)25-13-7-14-28-15-12-18-8-5-6-11-20(18)17-28/h2-6,8-11,16H,7,12-15,17H2,1H3,(H,25,29)