N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]isoquinoline-3-carboxamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]isoquinoline-3-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]isoquinoline-3-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-3-isoquinolinecarboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]isoquinoline-3-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]isoquinoline-3-carboxamide Formula: C26H27N7O2 MolecularWeight: 469.53828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC3=CC=CC=C3C=N2)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC3=CC=CC=C3C=N2)C4=CC=CC=C4

InChI

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