5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione; 1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione; 1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 5,5-diallylhexahydropyrimidine-2,4,6-trione; 1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione; 1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione; 1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: antipyrine; 5,5-diallylbarbituric acid Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C2=CC=CC=C2.C=CCC1(C(=O)NC(=O)NC1=O)CC=C

Isomeric SMILES

CC1=CC(=O)N(N1C)C2=CC=CC=C2.C=CCC1(C(=O)NC(=O)NC1=O)CC=C

InChI

InChI=1S/C11H12N2O.C10H12N2O3/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-8H,1-2H3;3-4H,1-2,5-6H2,(H2,11,12,13,14,15)