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

Systemtic Name: 6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione Openeye Name: 6-(3,5-dimethylphenyl)sulfanyl-5-isopropyl-1-(4-pyridylmethyl)pyrimidine-2,4-dione CAS Name: 6-[(3,5-dimethylphenyl)thio]-5-propan-2-yl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione Traditional Name: 6-[(3,5-dimethylphenyl)thio]-5-isopropyl-1-(4-pyridylmethyl)pyrimidine-2,4-quinone Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-13(2)18-19(25)23-21(26)24(12-16-5-7-22-8-6-16)20(18)27-17-10-14(3)9-15(4)11-17/h5-11,13H,12H2,1-4H3,(H,23,25,26)