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

Systemtic Name: 7-heptyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-purine-2,6-dione Openeye Name: 7-heptyl-8-[(2E)-2-[(4-methoxyphenyl)methylene]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 7-heptyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-heptyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione Traditional Name: 7-heptyl-3-methyl-8-[(N'E)-N'-p-anisylidenehydrazino]xanthine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H28N6O3/c1-4-5-6-7-8-13-27-17-18(26(2)21(29)24-19(17)28)23-20(27)25-22-14-15-9-11-16(30-3)12-10-15/h9-12,14H,4-8,13H2,1-3H3,(H,23,25)(H,24,28,29)/b22-14+