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

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

CCCCN1C(=C(C(=O)NC1=O)C(C2=CC=NC=C2)C3=C(N(C(=O)NC3=O)CCCC)O)O

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)C(C2=CC=NC=C2)C3=C(N(C(=O)NC3=O)CCCC)O)O

InChI

InChI=1S/C22H27N5O6/c1-3-5-11-26-19(30)15(17(28)24-21(26)32)14(13-7-9-23-10-8-13)16-18(29)25-22(33)27(20(16)31)12-6-4-2/h7-10,14,30-31H,3-6,11-12H2,1-2H3,(H,24,28,32)(H,25,29,33)