8-[2-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(2-oxidanyl-3-phenoxy-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-phenoxy-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-phenoxy-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-phenoxypropyl)-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-phenoxypropyl)-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-phenoxy-propyl)-3-methyl-xanthine Formula: C23H23BrN6O6 MolecularWeight: 559.36932

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=C(C(=O)C(=C3)Br)OC)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=C(C(=O)C(=C3)Br)OC)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C23H23BrN6O6/c1-29-20-18(21(33)27-23(29)34)30(11-14(31)12-36-15-6-4-3-5-7-15)22(26-20)28-25-10-13-8-16(24)19(32)17(9-13)35-2/h3-10,14,25,31H,11-12H2,1-2H3,(H,26,28)(H,27,33,34)