N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-1-isoquinolinecarboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide Formula: C26H27N7O2 MolecularWeight: 469.53828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=NC=CC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=NC=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H27N7O2/c1-18(34)27-13-14-28-22-17-23(33-25(32-22)20-8-3-2-4-9-20)29-15-16-31-26(35)24-21-10-6-5-7-19(21)11-12-30-24/h2-12,17H,13-16H2,1H3,(H,27,34)(H,31,35)(H2,28,29,32,33)