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

Systemtic Name: 8-(azepan-1-yl)-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-3-methyl-7-nonyl-xanthine Formula: C21H35N5O2 MolecularWeight: 389.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H35N5O2/c1-3-4-5-6-7-8-13-16-26-17-18(24(2)21(28)23-19(17)27)22-20(26)25-14-11-9-10-12-15-25/h3-16H2,1-2H3,(H,23,27,28)