7-tert-butyl-1,3-dimethyl-5-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-tert-butyl-1,3-dimethyl-5-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-1,3-dimethyl-5-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-1,3-dimethyl-5-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-1,3-dimethyl-5-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-1,3-dimethyl-5-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H26N6O7S2 MolecularWeight: 550.60784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)SC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C22H26N6O7S2/c1-22(2,3)20-23-17-16(19(29)26(5)21(30)25(17)4)18(24-20)36-15-7-6-13(12-14(15)28(31)32)37(33,34)27-8-10-35-11-9-27/h6-7,12H,8-11H2,1-5H3