8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-octyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-methoxyphenyl)methylene]hydrazino]-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione Traditional Name: 3-methyl-7-octyl-8-[(N'E)-N'-p-anisylidenehydrazino]xanthine Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H30N6O3/c1-4-5-6-7-8-9-14-28-18-19(27(2)22(30)25-20(18)29)24-21(28)26-23-15-16-10-12-17(31-3)13-11-16/h10-13,15H,4-9,14H2,1-3H3,(H,24,26)(H,25,29,30)/b23-15+