6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(3-phenanthren-9-ylprop-2-ynoxymethyl)pyrimidine-2,4-dione

Systemtic Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(3-phenanthren-9-ylprop-2-ynoxymethyl)pyrimidine-2,4-dione Openeye Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[3-(9-phenanthryl)prop-2-ynoxymethyl]pyrimidine-2,4-dione CAS Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[3-(9-phenanthrenyl)prop-2-ynoxymethyl]pyrimidine-2,4-dione IUPAC Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-(3-phenanthren-9-ylprop-2-ynoxymethyl)pyrimidine-2,4-dione Traditional Name: 6-(3,5-dimethylbenzyl)-5-ethyl-1-[3-(9-phenanthryl)prop-2-ynoxymethyl]pyrimidine-2,4-quinone Formula: C33H30N2O3 MolecularWeight: 502.6029

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)COCC#CC2=CC3=CC=CC=C3C4=CC=CC=C42)CC5=CC(=CC(=C5)C)C

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)COCC#CC2=CC3=CC=CC=C3C4=CC=CC=C42)CC5=CC(=CC(=C5)C)C

InChI

InChI=1S/C33H30N2O3/c1-4-27-31(19-24-17-22(2)16-23(3)18-24)35(33(37)34-32(27)36)21-38-15-9-11-26-20-25-10-5-6-12-28(25)30-14-8-7-13-29(26)30/h5-8,10,12-14,16-18,20H,4,15,19,21H2,1-3H3,(H,34,36,37)