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

Systemtic Name: 6-(3,5-dimethylphenyl)sulfanyl-1-(phenylmethyl)-5-propyl-pyrimidine-2,4-dione Openeye Name: 1-benzyl-6-(3,5-dimethylphenyl)sulfanyl-5-propyl-pyrimidine-2,4-dione CAS Name: 6-[(3,5-dimethylphenyl)thio]-1-(phenylmethyl)-5-propylpyrimidine-2,4-dione IUPAC Name: 1-benzyl-6-(3,5-dimethylphenyl)sulfanyl-5-propylpyrimidine-2,4-dione Traditional Name: 1-benzyl-6-[(3,5-dimethylphenyl)thio]-5-propyl-pyrimidine-2,4-quinone Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)SC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCC1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)SC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H24N2O2S/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/h5-7,9-13H,4,8,14H2,1-3H3,(H,23,25,26)