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

Systemtic Name: 8-[2-[(4-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-[2-[(4-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-[(4-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-[2-[(4-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-[N'-[(4-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-propyl-xanthine Formula: C16H17BrN6O3 MolecularWeight: 421.24858

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NNC=C3C=CC(=CC3=O)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1NNC=C3C=CC(=CC3=O)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H17BrN6O3/c1-3-6-23-12-13(22(2)16(26)20-14(12)25)19-15(23)21-18-8-9-4-5-10(17)7-11(9)24/h4-5,7-8,18H,3,6H2,1-2H3,(H,19,21)(H,20,25,26)