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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=O)NC1=O)CC2=NC3=CC=CC=C3O2)SC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCCC1=C(N(C(=O)NC1=O)CC2=NC3=CC=CC=C3O2)SC4=CC(=CC(=C4)C)C

InChI

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