N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide Formula: C25H28N6O2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C25H28N6O2/c1-18(32)26-12-13-27-22-15-23(30-25(29-22)20-8-3-2-4-9-20)28-24(33)17-31-14-11-19-7-5-6-10-21(19)16-31/h2-10,15H,11-14,16-17H2,1H3,(H,26,32)(H2,27,28,29,30,33)