7-tert-butyl-1,3-dimethyl-5-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-tert-butyl-1,3-dimethyl-5-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-1,3-dimethyl-5-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-1,3-dimethyl-5-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-1,3-dimethyl-5-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-5-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)SCCCN3C4=CC=CC=C4NC3=O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)SCCCN3C4=CC=CC=C4NC3=O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C22H26N6O3S/c1-22(2,3)19-24-16-15(18(29)27(5)21(31)26(16)4)17(25-19)32-12-8-11-28-14-10-7-6-9-13(14)23-20(28)30/h6-7,9-10H,8,11-12H2,1-5H3,(H,23,30)