7-tert-butyl-5-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-tert-butyl-5-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[(5-acetyl-2-methoxyphenyl)methylthio]-7-tert-butyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-7-tert-butyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(5-acetyl-2-methoxy-benzyl)thio]-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

InChI

InChI=1S/C22H26N4O4S/c1-12(27)13-8-9-15(30-7)14(10-13)11-31-18-16-17(23-20(24-18)22(2,3)4)25(5)21(29)26(6)19(16)28/h8-10H,11H2,1-7H3