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

Systemtic Name: 7-hexyl-3-methyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-benzyloxyphenyl)methylene]hydrazino]-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 8-[(N'E)-N'-(4-benzoxybenzylidene)hydrazino]-7-hexyl-3-methyl-xanthine Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)OCC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)OCC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H30N6O3/c1-3-4-5-9-16-32-22-23(31(2)26(34)29-24(22)33)28-25(32)30-27-17-19-12-14-21(15-13-19)35-18-20-10-7-6-8-11-20/h6-8,10-15,17H,3-5,9,16,18H2,1-2H3,(H,28,30)(H,29,33,34)/b27-17+