methyl (E)-2-(acetyloxymethyl)-4-[5-[(4-ethanoylpiperazin-1-yl)carbonylamino]-6-oxidanylidene-2-phenyl-pyrimidin-1-yl]but-2-enoate

Systemtic Name: methyl (E)-2-(acetyloxymethyl)-4-[5-[(4-ethanoylpiperazin-1-yl)carbonylamino]-6-oxidanylidene-2-phenyl-pyrimidin-1-yl]but-2-enoate Openeye Name: methyl (E)-2-(acetoxymethyl)-4-[5-[(4-acetylpiperazine-1-carbonyl)amino]-6-oxo-2-phenyl-pyrimidin-1-yl]but-2-enoate CAS Name: (E)-2-(acetyloxymethyl)-4-[5-[[(4-acetyl-1-piperazinyl)-oxomethyl]amino]-6-oxo-2-phenyl-1-pyrimidinyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-2-(acetyloxymethyl)-4-[5-[(4-acetylpiperazine-1-carbonyl)amino]-6-oxo-2-phenylpyrimidin-1-yl]but-2-enoate Traditional Name: (E)-2-(acetoxymethyl)-4-[5-[(4-acetylpiperazine-1-carbonyl)amino]-6-keto-2-phenyl-pyrimidin-1-yl]but-2-enoic acid methyl ester Formula: C25H29N5O7 MolecularWeight: 511.52706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)NC2=CN=C(N(C2=O)CC=C(COC(=O)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)NC2=CN=C(N(C2=O)C/C=C(\COC(=O)C)/C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H29N5O7/c1-17(31)28-11-13-29(14-12-28)25(35)27-21-15-26-22(19-7-5-4-6-8-19)30(23(21)33)10-9-20(24(34)36-3)16-37-18(2)32/h4-9,15H,10-14,16H2,1-3H3,(H,27,35)/b20-9+