5-(4-tert-butylphenyl)carbonyl-6-(diethylaminomethyl)-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 5-(4-tert-butylphenyl)carbonyl-6-(diethylaminomethyl)-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 5-(4-tert-butylbenzoyl)-6-(diethylaminomethyl)-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 5-[(4-tert-butylphenyl)-oxomethyl]-6-(diethylaminomethyl)-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 5-(4-tert-butylbenzoyl)-6-(diethylaminomethyl)-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 5-(4-tert-butylbenzoyl)-6-(diethylaminomethyl)-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(=O)N(C(=O)N1C)C)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCN(CC)CC1=C(C(=O)N(C(=O)N1C)C)C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H31N3O3/c1-8-25(9-2)14-17-18(20(27)24(7)21(28)23(17)6)19(26)15-10-12-16(13-11-15)22(3,4)5/h10-13H,8-9,14H2,1-7H3