8-(1,4-diazepan-1-yl)-7-[(2-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(1,4-diazepan-1-yl)-7-[(2-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(1,4-diazepan-1-yl)-7-[(2-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-7-[(2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(1,4-diazepan-1-yl)-7-[(2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(1,4-diazepan-1-yl)-1,3-dimethyl-7-o-anisyl-xanthine Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCNCC3)CC4=CC=CC=C4OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCNCC3)CC4=CC=CC=C4OC

InChI

InChI=1S/C20H26N6O3/c1-23-17-16(18(27)24(2)20(23)28)26(13-14-7-4-5-8-15(14)29-3)19(22-17)25-11-6-9-21-10-12-25/h4-5,7-8,21H,6,9-13H2,1-3H3