6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(6-oxidanylhexa-2,4-diynoxymethyl)pyrimidine-2,4-dione

Systemtic Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(6-oxidanylhexa-2,4-diynoxymethyl)pyrimidine-2,4-dione Openeye Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(6-hydroxyhexa-2,4-diynoxymethyl)pyrimidine-2,4-dione CAS Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(6-hydroxyhexa-2,4-diynoxymethyl)pyrimidine-2,4-dione IUPAC Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(6-hydroxyhexa-2,4-diynoxymethyl)pyrimidine-2,4-dione Traditional Name: 6-(3,5-dimethylbenzyl)-5-ethyl-1-(6-hydroxyhexa-2,4-diynoxymethyl)pyrimidine-2,4-quinone Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)COCC#CC#CCO)CC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)COCC#CC#CCO)CC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C22H24N2O4/c1-4-19-20(14-18-12-16(2)11-17(3)13-18)24(22(27)23-21(19)26)15-28-10-8-6-5-7-9-25/h11-13,25H,4,9-10,14-15H2,1-3H3,(H,23,26,27)