(E)-4-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethylamino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-4-pyrimidinyl]amino]ethylamino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenylpyrimidin-4-yl]amino]ethylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethylamino]-4-keto-but-2-enoate Formula: C21H25N6O4- MolecularWeight: 425.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NCCNC(=O)C)C2=CC=CC=C2)NCCNC(=O)C=CC(=O)[O-]

Isomeric SMILES

CC1=C(N=C(N=C1NCCNC(=O)C)C2=CC=CC=C2)NCCNC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C21H26N6O4/c1-14-19(24-12-10-22-15(2)28)26-21(16-6-4-3-5-7-16)27-20(14)25-13-11-23-17(29)8-9-18(30)31/h3-9H,10-13H2,1-2H3,(H,22,28)(H,23,29)(H,30,31)(H2,24,25,26,27)/p-1/b9-8+