1-(benzotriazol-1-ylmethyl)-6-(3,5-dimethylphenyl)carbonyl-5-ethyl-pyrimidine-2,4-dione

Systemtic Name: 1-(benzotriazol-1-ylmethyl)-6-(3,5-dimethylphenyl)carbonyl-5-ethyl-pyrimidine-2,4-dione Openeye Name: 1-(benzotriazol-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-dione CAS Name: 1-(1-benzotriazolylmethyl)-6-[(3,5-dimethylphenyl)-oxomethyl]-5-ethylpyrimidine-2,4-dione IUPAC Name: 1-(benzotriazol-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione Traditional Name: 1-(benzotriazol-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-quinone Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)CN2C3=CC=CC=C3N=N2)C(=O)C4=CC(=CC(=C4)C)C

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)CN2C3=CC=CC=C3N=N2)C(=O)C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C22H21N5O3/c1-4-16-19(20(28)15-10-13(2)9-14(3)11-15)26(22(30)23-21(16)29)12-27-18-8-6-5-7-17(18)24-25-27/h5-11H,4,12H2,1-3H3,(H,23,29,30)