8-(1,4-diazepan-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(1,4-diazepan-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(1,4-diazepan-1-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(1,4-diazepan-1-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(1,4-diazepan-1-yl)-1,3-dimethyl-xanthine Formula: C19H24N6O2 MolecularWeight: 368.43286

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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=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCNCC3)CC4=CC=CC=C4

InChI

InChI=1S/C19H24N6O2/c1-22-16-15(17(26)23(2)19(22)27)25(13-14-7-4-3-5-8-14)18(21-16)24-11-6-9-20-10-12-24/h3-5,7-8,20H,6,9-13H2,1-2H3