ethyl (E)-4-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethylamino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NCCNC1=CC(=NC(=N1)C2=CC=CC=C2)NCCNC(=O)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NCCNC1=CC(=NC(=N1)C2=CC=CC=C2)NCCNC(=O)C

InChI

InChI=1S/C22H28N6O4/c1-3-32-21(31)10-9-20(30)26-14-13-25-19-15-18(24-12-11-23-16(2)29)27-22(28-19)17-7-5-4-6-8-17/h4-10,15H,3,11-14H2,1-2H3,(H,23,29)(H,26,30)(H2,24,25,27,28)/b10-9+