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

Systemtic Name: 8-[2-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[2-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-(2-methoxyethyl)-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-methoxyethyl)-3-methyl-xanthine Formula: C17H19BrN6O5 MolecularWeight: 467.27396

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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)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=C(C(=O)C(=C3)Br)OC)CCOC

InChI

InChI=1S/C17H19BrN6O5/c1-23-14-12(15(26)21-17(23)27)24(4-5-28-2)16(20-14)22-19-8-9-6-10(18)13(25)11(7-9)29-3/h6-8,19H,4-5H2,1-3H3,(H,20,22)(H,21,26,27)