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

Systemtic Name: 7-tert-butyl-1,3-dimethyl-5-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-1,3-dimethyl-5-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-1,3-dimethyl-5-[1-(4-oxo-1H-quinazolin-2-yl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-1,3-dimethyl-5-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-5-[1-(4-keto-1H-quinazolin-2-yl)ethylthio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC(=NC4=C3C(=O)N(C(=O)N4C)C)C(C)(C)C

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC(=NC4=C3C(=O)N(C(=O)N4C)C)C(C)(C)C

InChI

InChI=1S/C22H24N6O3S/c1-11(15-23-13-10-8-7-9-12(13)17(29)24-15)32-18-14-16(25-20(26-18)22(2,3)4)27(5)21(31)28(6)19(14)30/h7-11H,1-6H3,(H,23,24,29)