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

Systemtic Name: 6-(3,5-dimethylphenyl)sulfanyl-1-[[4-(hydroxymethyl)cyclopenten-1-yl]methyl]-5-propan-2-yl-pyrimidine-2,4-dione Openeye Name: 6-(3,5-dimethylphenyl)sulfanyl-1-[[4-(hydroxymethyl)cyclopenten-1-yl]methyl]-5-isopropyl-pyrimidine-2,4-dione CAS Name: 6-[(3,5-dimethylphenyl)thio]-1-[[4-(hydroxymethyl)-1-cyclopentenyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione IUPAC Name: 6-(3,5-dimethylphenyl)sulfanyl-1-[[4-(hydroxymethyl)cyclopenten-1-yl]methyl]-5-propan-2-ylpyrimidine-2,4-dione Traditional Name: 6-[(3,5-dimethylphenyl)thio]-5-isopropyl-1-[(4-methylolcyclopenten-1-yl)methyl]pyrimidine-2,4-quinone Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=O)N2CC3=CCC(C3)CO)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=O)N2CC3=CCC(C3)CO)C(C)C)C

InChI

InChI=1S/C22H28N2O3S/c1-13(2)19-20(26)23-22(27)24(11-16-5-6-17(10-16)12-25)21(19)28-18-8-14(3)7-15(4)9-18/h5,7-9,13,17,25H,6,10-12H2,1-4H3,(H,23,26,27)