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

Systemtic Name: 1-(1,3-benzoxazol-2-ylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-pyrimidine-2,4-dione Openeye Name: 1-(1,3-benzoxazol-2-ylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-isopropyl-pyrimidine-2,4-dione CAS Name: 1-(1,3-benzoxazol-2-ylmethyl)-6-[(3,5-dimethylphenyl)thio]-5-propan-2-ylpyrimidine-2,4-dione IUPAC Name: 1-(1,3-benzoxazol-2-ylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidine-2,4-dione Traditional Name: 1-(1,3-benzoxazol-2-ylmethyl)-6-[(3,5-dimethylphenyl)thio]-5-isopropyl-pyrimidine-2,4-quinone Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=O)N2CC3=NC4=CC=CC=C4O3)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=O)N2CC3=NC4=CC=CC=C4O3)C(C)C)C

InChI

InChI=1S/C23H23N3O3S/c1-13(2)20-21(27)25-23(28)26(12-19-24-17-7-5-6-8-18(17)29-19)22(20)30-16-10-14(3)9-15(4)11-16/h5-11,13H,12H2,1-4H3,(H,25,27,28)