7-tert-butyl-5-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-tert-butyl-5-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-5-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-5-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-5-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-5-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylthio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=NC4=C3C(=O)N(C(=O)N4C)C)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=NC4=C3C(=O)N(C(=O)N4C)C)C(C)(C)C)Cl

InChI

InChI=1S/C23H23ClN4O4S/c1-11-7-15-13(9-14(11)24)12(8-16(29)32-15)10-33-19-17-18(25-21(26-19)23(2,3)4)27(5)22(31)28(6)20(17)30/h7-9H,10H2,1-6H3