5-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 5-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[[2-(1-adamantyl)-2-oxoethyl]thio]-7-tert-butyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-7-tert-butyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[[2-(1-adamantyl)-2-keto-ethyl]thio]-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C24H32N4O3S MolecularWeight: 456.60088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)SCC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)SCC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C24H32N4O3S/c1-23(2,3)21-25-18-17(20(30)28(5)22(31)27(18)4)19(26-21)32-12-16(29)24-9-13-6-14(10-24)8-15(7-13)11-24/h13-15H,6-12H2,1-5H3