1-(cyclohexylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propyl-pyrimidine-2,4-dione

Systemtic Name: 1-(cyclohexylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propyl-pyrimidine-2,4-dione Openeye Name: 1-(cyclohexylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propyl-pyrimidine-2,4-dione CAS Name: 1-(cyclohexylmethyl)-6-[(3,5-dimethylphenyl)thio]-5-propylpyrimidine-2,4-dione IUPAC Name: 1-(cyclohexylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propylpyrimidine-2,4-dione Traditional Name: 1-(cyclohexylmethyl)-6-[(3,5-dimethylphenyl)thio]-5-propyl-pyrimidine-2,4-quinone Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=O)NC1=O)CC2CCCCC2)SC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCC1=C(N(C(=O)NC1=O)CC2CCCCC2)SC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H30N2O2S/c1-4-8-19-20(25)23-22(26)24(14-17-9-6-5-7-10-17)21(19)27-18-12-15(2)11-16(3)13-18/h11-13,17H,4-10,14H2,1-3H3,(H,23,25,26)