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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-acetamide Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C25H26N6O3/c1-17(32)26-12-13-27-21-15-22(29-23(28-21)19-8-3-2-4-9-19)30-24(33)25(34)31-14-11-18-7-5-6-10-20(18)16-31/h2-10,15H,11-14,16H2,1H3,(H,26,32)(H2,27,28,29,30,33)