5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]-6-oxidanyl-1-phenethyl-pyrimidine-2,4-dione

Systemtic Name: 5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]-6-oxidanyl-1-phenethyl-pyrimidine-2,4-dione Openeye Name: 5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]-6-hydroxy-1-phenethyl-pyrimidine-2,4-dione CAS Name: 5-[(E)-3-[4-(diethylamino)phenyl]-1-oxoprop-2-enyl]-6-hydroxy-1-phenethylpyrimidine-2,4-dione IUPAC Name: 5-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]-6-hydroxy-1-phenethylpyrimidine-2,4-dione Traditional Name: 5-[(E)-3-[4-(diethylamino)phenyl]acryloyl]-6-hydroxy-1-phenethyl-pyrimidine-2,4-quinone Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=CC(=O)C2=C(N(C(=O)NC2=O)CCC3=CC=CC=C3)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=C/C(=O)C2=C(N(C(=O)NC2=O)CCC3=CC=CC=C3)O

InChI

InChI=1S/C25H27N3O4/c1-3-27(4-2)20-13-10-19(11-14-20)12-15-21(29)22-23(30)26-25(32)28(24(22)31)17-16-18-8-6-5-7-9-18/h5-15,31H,3-4,16-17H2,1-2H3,(H,26,30,32)/b15-12+