2-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide Openeye Name: 2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N-(2-thienylmethyl)pyrimidine-5-carboxamide CAS Name: 2-[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-N-(thiophen-2-ylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide Traditional Name: 2-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N-(2-thenyl)pyrimidine-5-carboxamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC(=C3)C4=NC=C(C=N4)C(=O)NCC5=CC=CS5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC(=C3)C4=NC=C(C=N4)C(=O)NCC5=CC=CS5

InChI

InChI=1S/C26H22N4O2S/c31-25(29-16-23-9-4-12-33-23)22-14-27-24(28-15-22)19-7-3-8-20(13-19)26(32)30-11-10-18-5-1-2-6-21(18)17-30/h1-9,12-15H,10-11,16-17H2,(H,29,31)