8-[(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-[(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-[(2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]hydrazino]-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[(N'Z)-N'-(5-bromo-2-methoxy-benzylidene)hydrazino]-1,3-dimethyl-7-propyl-xanthine Formula: C18H21BrN6O3 MolecularWeight: 449.30174

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NN=CC3=C(C=CC(=C3)Br)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1N/N=C\C3=C(C=CC(=C3)Br)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H21BrN6O3/c1-5-8-25-14-15(23(2)18(27)24(3)16(14)26)21-17(25)22-20-10-11-9-12(19)6-7-13(11)28-4/h6-7,9-10H,5,8H2,1-4H3,(H,21,22)/b20-10-