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

Systemtic Name: 8-(1,2-diazepan-1-yl)-7-[(2-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(diazepan-1-yl)-7-[(2-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1-diazepanyl)-7-[(2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(diazepan-1-yl)-7-[(2-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(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)N3CCCCCN3)CC4=CC=CC=C4OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCN3)CC4=CC=CC=C4OC

InChI

InChI=1S/C20H26N6O3/c1-23-17-16(18(27)24(2)20(23)28)25(13-14-9-5-6-10-15(14)29-3)19(22-17)26-12-8-4-7-11-21-26/h5-6,9-10,21H,4,7-8,11-13H2,1-3H3