6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-3-[[4-(hydroxymethyl)cyclopenten-1-yl]methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-3-[[4-(hydroxymethyl)cyclopenten-1-yl]methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-3-[[4-(hydroxymethyl)cyclopenten-1-yl]methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[(3,5-dimethylphenyl)thio]-5-ethyl-3-[[4-(hydroxymethyl)-1-cyclopentenyl]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-3-[[4-(hydroxymethyl)cyclopenten-1-yl]methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[(3,5-dimethylphenyl)thio]-5-ethyl-3-[(4-methylolcyclopenten-1-yl)methyl]uracil Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)N(C1=O)CC2=CCC(C2)CO)SC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC1=C(NC(=O)N(C1=O)CC2=CCC(C2)CO)SC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H26N2O3S/c1-4-18-19(27-17-8-13(2)7-14(3)9-17)22-21(26)23(20(18)25)11-15-5-6-16(10-15)12-24/h5,7-9,16,24H,4,6,10-12H2,1-3H3,(H,22,26)