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

Systemtic Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[3-(2-methylsulfanylphenyl)prop-2-ynoxymethyl]pyrimidine-2,4-dione Openeye Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[3-(2-methylsulfanylphenyl)prop-2-ynoxymethyl]pyrimidine-2,4-dione CAS Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[3-[2-(methylthio)phenyl]prop-2-ynoxymethyl]pyrimidine-2,4-dione IUPAC Name: 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[3-(2-methylsulfanylphenyl)prop-2-ynoxymethyl]pyrimidine-2,4-dione Traditional Name: 6-(3,5-dimethylbenzyl)-5-ethyl-1-[3-[2-(methylthio)phenyl]prop-2-ynoxymethyl]pyrimidine-2,4-quinone Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)COCC#CC2=CC=CC=C2SC)CC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)COCC#CC2=CC=CC=C2SC)CC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C26H28N2O3S/c1-5-22-23(16-20-14-18(2)13-19(3)15-20)28(26(30)27-25(22)29)17-31-12-8-10-21-9-6-7-11-24(21)32-4/h6-7,9,11,13-15H,5,12,16-17H2,1-4H3,(H,27,29,30)