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

Systemtic Name: 7-dodecyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-purine-2,6-dione Openeye Name: 7-dodecyl-8-[(2E)-2-[(4-methoxyphenyl)methylene]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 7-dodecyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-dodecyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione Traditional Name: 7-lauryl-3-methyl-8-[(N'E)-N'-p-anisylidenehydrazino]xanthine Formula: C26H38N6O3 MolecularWeight: 482.61832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H38N6O3/c1-4-5-6-7-8-9-10-11-12-13-18-32-22-23(31(2)26(34)29-24(22)33)28-25(32)30-27-19-20-14-16-21(35-3)17-15-20/h14-17,19H,4-13,18H2,1-3H3,(H,28,30)(H,29,33,34)/b27-19+