8-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-dodecyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-dodecyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2Z)-2-[(4-bromophenyl)methylene]hydrazino]-7-dodecyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-dodecyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-dodecyl-3-methylpurine-2,6-dione Traditional Name: 8-[(N'Z)-N'-(4-bromobenzylidene)hydrazino]-7-lauryl-3-methyl-xanthine Formula: C25H35BrN6O2 MolecularWeight: 531.4884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1N/N=C\C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C25H35BrN6O2/c1-3-4-5-6-7-8-9-10-11-12-17-32-21-22(31(2)25(34)29-23(21)33)28-24(32)30-27-18-19-13-15-20(26)16-14-19/h13-16,18H,3-12,17H2,1-2H3,(H,28,30)(H,29,33,34)/b27-18-