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

Systemtic Name: 8-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-[(2Z)-2-[(4-bromophenyl)methylene]hydrazino]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-[(N'Z)-N'-(4-bromobenzylidene)hydrazino]-3-methyl-7-propyl-xanthine Formula: C16H17BrN6O2 MolecularWeight: 405.24918

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N/N=C\C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H17BrN6O2/c1-3-8-23-12-13(22(2)16(25)20-14(12)24)19-15(23)21-18-9-10-4-6-11(17)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,19,21)(H,20,24,25)/b18-9-