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

Systemtic Name: 8-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C16H17BrN6O4 MolecularWeight: 437.24798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=C(C=CC3=O)Br)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=C(C=CC3=O)Br)CCOC

InChI

InChI=1S/C16H17BrN6O4/c1-22-13-12(14(25)20-16(22)26)23(5-6-27-2)15(19-13)21-18-8-9-7-10(17)3-4-11(9)24/h3-4,7-8,18H,5-6H2,1-2H3,(H,19,21)(H,20,25,26)