8-(3-azanylazepan-1-yl)-3-methyl-1-phenacyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-azanylazepan-1-yl)-3-methyl-1-phenacyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(3-aminoazepan-1-yl)-7-benzyl-3-methyl-1-phenacyl-purine-2,6-dione CAS Name: 8-(3-amino-1-azepanyl)-3-methyl-1-phenacyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(3-aminoazepan-1-yl)-7-benzyl-3-methyl-1-phenacylpurine-2,6-dione Traditional Name: 8-(3-aminoazepan-1-yl)-7-benzyl-3-methyl-1-phenacyl-xanthine Formula: C27H30N6O3 MolecularWeight: 486.5655

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)N4CCCCC(C4)N)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C(=N2)N4CCCCC(C4)N)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N6O3/c1-30-24-23(25(35)33(27(30)36)18-22(34)20-12-6-3-7-13-20)32(16-19-10-4-2-5-11-19)26(29-24)31-15-9-8-14-21(28)17-31/h2-7,10-13,21H,8-9,14-18,28H2,1H3