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

Systemtic Name: 1-(1,3-benzoxazol-2-ylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-pyrimidine-2,4-dione Openeye Name: 1-(1,3-benzoxazol-2-ylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-pyrimidine-2,4-dione CAS Name: 1-(1,3-benzoxazol-2-ylmethyl)-6-[(3,5-dimethylphenyl)thio]-5-ethylpyrimidine-2,4-dione IUPAC Name: 1-(1,3-benzoxazol-2-ylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione Traditional Name: 1-(1,3-benzoxazol-2-ylmethyl)-6-[(3,5-dimethylphenyl)thio]-5-ethyl-pyrimidine-2,4-quinone Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)CC2=NC3=CC=CC=C3O2)SC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)CC2=NC3=CC=CC=C3O2)SC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C22H21N3O3S/c1-4-16-20(26)24-22(27)25(12-19-23-17-7-5-6-8-18(17)28-19)21(16)29-15-10-13(2)9-14(3)11-15/h5-11H,4,12H2,1-3H3,(H,24,26,27)