1-tert-butyl-5-[[1-tert-butyl-6-oxidanyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pyridin-4-yl-methyl]-6-oxidanyl-pyrimidine-2,4-dione

Systemtic Name: 1-tert-butyl-5-[[1-tert-butyl-6-oxidanyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pyridin-4-yl-methyl]-6-oxidanyl-pyrimidine-2,4-dione Openeye Name: 1-tert-butyl-5-[(1-tert-butyl-6-hydroxy-2,4-dioxo-pyrimidin-5-yl)-(4-pyridyl)methyl]-6-hydroxy-pyrimidine-2,4-dione CAS Name: 1-tert-butyl-5-[(1-tert-butyl-6-hydroxy-2,4-dioxo-5-pyrimidinyl)-pyridin-4-ylmethyl]-6-hydroxypyrimidine-2,4-dione IUPAC Name: 1-tert-butyl-5-[(1-tert-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-6-hydroxypyrimidine-2,4-dione Traditional Name: 1-tert-butyl-5-[(1-tert-butyl-6-hydroxy-2,4-diketo-pyrimidin-5-yl)-(4-pyridyl)methyl]-6-hydroxy-pyrimidine-2,4-quinone Formula: C22H27N5O6 MolecularWeight: 457.47968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=O)NC1=O)C(C2=CC=NC=C2)C3=C(N(C(=O)NC3=O)C(C)(C)C)O)O

Isomeric SMILES

CC(C)(C)N1C(=C(C(=O)NC1=O)C(C2=CC=NC=C2)C3=C(N(C(=O)NC3=O)C(C)(C)C)O)O

InChI

InChI=1S/C22H27N5O6/c1-21(2,3)26-17(30)13(15(28)24-19(26)32)12(11-7-9-23-10-8-11)14-16(29)25-20(33)27(18(14)31)22(4,5)6/h7-10,12,30-31H,1-6H3,(H,24,28,32)(H,25,29,33)