N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-4-pyrimidinyl]amino]ethyl]-1-isoquinolinecarboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenylpyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]isoquinoline-1-carboxamide Formula: C27H29N7O2 MolecularWeight: 483.56486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NCCNC(=O)C)C2=CC=CC=C2)NCCNC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(N=C(N=C1NCCNC(=O)C)C2=CC=CC=C2)NCCNC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C27H29N7O2/c1-18-24(30-15-14-28-19(2)35)33-26(21-9-4-3-5-10-21)34-25(18)31-16-17-32-27(36)23-22-11-7-6-8-20(22)12-13-29-23/h3-13H,14-17H2,1-2H3,(H,28,35)(H,32,36)(H2,30,31,33,34)