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

Systemtic Name: 8-(2-cyclopentylidenehydrazinyl)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-cyclopentylidenehydrazino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-cyclopentylidenehydrazinyl)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-cyclopentylidenehydrazinyl)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(N'-cyclopentylidenehydrazino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=C3CCCC3)CCC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=C3CCCC3)CCC4=CC=C(C=C4)OC

InChI

InChI=1S/C20H24N6O3/c1-25-17-16(18(27)22-20(25)28)26(12-11-13-7-9-15(29-2)10-8-13)19(21-17)24-23-14-5-3-4-6-14/h7-10H,3-6,11-12H2,1-2H3,(H,21,24)(H,22,27,28)