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

Systemtic Name: 8-(azepan-1-yl)-3-methyl-7H-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-(1-azepanyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-(azepan-1-yl)-3-methyl-7H-purine-2,6-quinone Formula: C12H17N5O2 MolecularWeight: 263.29568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)N3CCCCCC3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)N3CCCCCC3

InChI

InChI=1S/C12H17N5O2/c1-16-9-8(10(18)15-12(16)19)13-11(14-9)17-6-4-2-3-5-7-17/h2-7H2,1H3,(H,13,14)(H,15,18,19)