N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-cyano-benzamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-cyano-benzamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-cyano-benzamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-4-pyrimidinyl]amino]ethyl]-3-cyanobenzamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenylpyrimidin-4-yl]amino]ethyl]-3-cyanobenzamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-cyano-benzamide Formula: C25H27N7O2 MolecularWeight: 457.52758

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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=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(N=C(N=C1NCCNC(=O)C)C2=CC=CC=C2)NCCNC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H27N7O2/c1-17-22(28-12-11-27-18(2)33)31-24(20-8-4-3-5-9-20)32-23(17)29-13-14-30-25(34)21-10-6-7-19(15-21)16-26/h3-10,15H,11-14H2,1-2H3,(H,27,33)(H,30,34)(H2,28,29,31,32)