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

Systemtic Name: 8-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-3,7-dimethyl-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-8-[2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-3,7-dimethyl-1-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-3,7-dimethyl-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-8-[N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3,7-dimethyl-xanthine Formula: C17H17BrN6O3 MolecularWeight: 433.25928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NNC=C3C=C(C=CC3=O)Br)N(C(=O)N(C2=O)CC=C)C

Isomeric SMILES

CN1C2=C(N=C1NNC=C3C=C(C=CC3=O)Br)N(C(=O)N(C2=O)CC=C)C

InChI

InChI=1S/C17H17BrN6O3/c1-4-7-24-15(26)13-14(23(3)17(24)27)20-16(22(13)2)21-19-9-10-8-11(18)5-6-12(10)25/h4-6,8-9,19H,1,7H2,2-3H3,(H,20,21)