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

Systemtic Name: 8-(azepan-1-yl)-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-benzyl-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-benzyl-3-methylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-benzyl-3-methyl-xanthine Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C19H23N5O2/c1-22-16-15(17(25)21-19(22)26)24(13-14-9-5-4-6-10-14)18(20-16)23-11-7-2-3-8-12-23/h4-6,9-10H,2-3,7-8,11-13H2,1H3,(H,21,25,26)