6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[3-(4-nitrophenyl)prop-2-ynoxymethyl]pyrimidine-2,4-dione

Systemtic Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[3-(4-nitrophenyl)prop-2-ynoxymethyl]pyrimidine-2,4-dione Openeye Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[3-(4-nitrophenyl)prop-2-ynoxymethyl]pyrimidine-2,4-dione CAS Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[3-(4-nitrophenyl)prop-2-ynoxymethyl]pyrimidine-2,4-dione IUPAC Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[3-(4-nitrophenyl)prop-2-ynoxymethyl]pyrimidine-2,4-dione Traditional Name: 6-(3,5-dimethylbenzyl)-5-ethyl-1-[3-(4-nitrophenyl)prop-2-ynoxymethyl]pyrimidine-2,4-quinone Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)COCC#CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)COCC#CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C25H25N3O5/c1-4-22-23(15-20-13-17(2)12-18(3)14-20)27(25(30)26-24(22)29)16-33-11-5-6-19-7-9-21(10-8-19)28(31)32/h7-10,12-14H,4,11,15-16H2,1-3H3,(H,26,29,30)