dimethyl 2-azanyl-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-4,6-dicarboxylate

Systemtic Name: dimethyl 2-azanyl-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-4,6-dicarboxylate Openeye Name: dimethyl 2-amino-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-4,6-dicarboxylate CAS Name: 2-amino-5-[(E)-1-oxo-3-phenylprop-2-enyl]pyrimidine-4,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-amino-5-[(E)-3-phenylprop-2-enoyl]pyrimidine-4,6-dicarboxylate Traditional Name: 2-amino-5-[(E)-3-phenylacryloyl]pyrimidine-4,6-dicarboxylic acid dimethyl ester Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NC(=N1)N)C(=O)OC)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C(=NC(=N1)N)C(=O)OC)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C17H15N3O5/c1-24-15(22)13-12(14(16(23)25-2)20-17(18)19-13)11(21)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,18,19,20)/b9-8+