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

Systemtic Name: 7-tert-butyl-5-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-5-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-5-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-5-[(6-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-5-[(6-chloro-4-keto-1H-quinazolin-2-yl)methylthio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H21ClN6O3S MolecularWeight: 472.94784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H21ClN6O3S/c1-21(2,3)19-25-15-14(18(30)28(5)20(31)27(15)4)17(26-19)32-9-13-23-12-7-6-10(22)8-11(12)16(29)24-13/h6-8H,9H2,1-5H3,(H,23,24,29)