1-(2-cyclopent-2-en-1-ylethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-pyrimidine-2,4-dione

Systemtic Name: 1-(2-cyclopent-2-en-1-ylethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-pyrimidine-2,4-dione Openeye Name: 1-(2-cyclopent-2-en-1-ylethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-pyrimidine-2,4-dione CAS Name: 1-[2-(1-cyclopent-2-enyl)ethyl]-6-[(3,5-dimethylphenyl)thio]-5-ethylpyrimidine-2,4-dione IUPAC Name: 1-(2-cyclopent-2-en-1-ylethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione Traditional Name: 1-(2-cyclopent-2-en-1-ylethyl)-6-[(3,5-dimethylphenyl)thio]-5-ethyl-pyrimidine-2,4-quinone Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)CCC2CCC=C2)SC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)CCC2CCC=C2)SC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H26N2O2S/c1-4-18-19(24)22-21(25)23(10-9-16-7-5-6-8-16)20(18)26-17-12-14(2)11-15(3)13-17/h5,7,11-13,16H,4,6,8-10H2,1-3H3,(H,22,24,25)