3-[[(4S)-4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[[(4S)-4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[[(4S)-4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[[(4S)-4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[[(4S)-4-(4-chlorophenyl)-5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[[(4S)-5-carbethoxy-4-(4-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-4-keto-phthalazine-1-carboxylate Formula: C23H18ClN4O6- MolecularWeight: 481.86522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)Cl)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C23H19ClN4O6/c1-2-34-22(32)17-16(25-23(33)26-18(17)12-7-9-13(24)10-8-12)11-28-20(29)15-6-4-3-5-14(15)19(27-28)21(30)31/h3-10,18H,2,11H2,1H3,(H,30,31)(H2,25,26,33)/p-1/t18-/m0/s1