7-decyl-8-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-decyl-8-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-3-methyl-purine-2,6-dione Openeye Name: 7-decyl-8-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 7-decyl-8-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-decyl-8-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-3-methylpurine-2,6-dione Traditional Name: 7-decyl-8-[(N'E)-N'-[1-(4-methoxyphenyl)ethylidene]hydrazino]-3-methyl-xanthine Formula: C25H36N6O3 MolecularWeight: 468.59174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1NN=C(C)C3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1N/N=C(\C)/C3=CC=C(C=C3)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C25H36N6O3/c1-5-6-7-8-9-10-11-12-17-31-21-22(30(3)25(33)27-23(21)32)26-24(31)29-28-18(2)19-13-15-20(34-4)16-14-19/h13-16H,5-12,17H2,1-4H3,(H,26,29)(H,27,32,33)/b28-18+