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

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylsulfanyl-4-propyl-pyrimidine-5-carboxamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(methylthio)-4-propyl-5-pyrimidinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(methylthio)-4-propyl-pyrimidine-5-carboxamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC=C1C(=O)NCCCN2CCC3=CC=CC=C3C2)SC

Isomeric SMILES

CCCC1=NC(=NC=C1C(=O)NCCCN2CCC3=CC=CC=C3C2)SC

InChI

InChI=1S/C21H28N4OS/c1-3-7-19-18(14-23-21(24-19)27-2)20(26)22-11-6-12-25-13-10-16-8-4-5-9-17(16)15-25/h4-5,8-9,14H,3,6-7,10-13,15H2,1-2H3,(H,22,26)