8-[2-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione

Systemtic Name: 8-[2-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione Openeye Name: 8-[2-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-[N'-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-xanthine Formula: C20H25BrN6O6 MolecularWeight: 525.3531

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1NNC=C3C=C(C(=O)C(=C3)Br)OC)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OCC(CN1C2=C(N=C1NNC=C3C=C(C(=O)C(=C3)Br)OC)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C20H25BrN6O6/c1-10(2)33-9-12(28)8-27-15-17(26(3)20(31)24-18(15)30)23-19(27)25-22-7-11-5-13(21)16(29)14(6-11)32-4/h5-7,10,12,22,28H,8-9H2,1-4H3,(H,23,25)(H,24,30,31)