8-(2-hexan-2-ylidenehydrazinyl)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(2-hexan-2-ylidenehydrazinyl)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[2-(1-methylpentylidene)hydrazino]purine-2,6-dione CAS Name: 8-(2-hexan-2-ylidenehydrazinyl)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-hexan-2-ylidenehydrazinyl)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione Traditional Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[N'-(1-methylpentylidene)hydrazino]xanthine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=NNC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)NC(=O)N2C)C

Isomeric SMILES

CCCCC(=NNC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)NC(=O)N2C)C

InChI

InChI=1S/C21H28N6O3/c1-5-6-7-14(2)24-25-20-22-18-17(19(28)23-21(29)26(18)3)27(20)13-12-15-8-10-16(30-4)11-9-15/h8-11H,5-7,12-13H2,1-4H3,(H,22,25)(H,23,28,29)