1-(cyclopentylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-pyrimidine-2,4-dione

Systemtic Name: 1-(cyclopentylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-pyrimidine-2,4-dione Openeye Name: 1-(cyclopentylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-isopropyl-pyrimidine-2,4-dione CAS Name: 1-(cyclopentylmethyl)-6-[(3,5-dimethylphenyl)thio]-5-propan-2-ylpyrimidine-2,4-dione IUPAC Name: 1-(cyclopentylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidine-2,4-dione Traditional Name: 1-(cyclopentylmethyl)-6-[(3,5-dimethylphenyl)thio]-5-isopropyl-pyrimidine-2,4-quinone Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=O)N2CC3CCCC3)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=O)N2CC3CCCC3)C(C)C)C

InChI

InChI=1S/C21H28N2O2S/c1-13(2)18-19(24)22-21(25)23(12-16-7-5-6-8-16)20(18)26-17-10-14(3)9-15(4)11-17/h9-11,13,16H,5-8,12H2,1-4H3,(H,22,24,25)