7-tert-butyl-1,3-dimethyl-5-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-tert-butyl-1,3-dimethyl-5-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-5-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-5-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-5-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-5-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylthio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC(=NC4=C3C(=O)N(C(=O)N4C)C)C(C)(C)C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC(=NC4=C3C(=O)N(C(=O)N4C)C)C(C)(C)C)O

InChI

InChI=1S/C23H24N4O5S/c1-11-14(28)8-7-13-12(9-15(29)32-17(11)13)10-33-19-16-18(24-21(25-19)23(2,3)4)26(5)22(31)27(6)20(16)30/h7-9,28H,10H2,1-6H3