8-(azepan-1-ylmethyl)-3-butyl-7-ethyl-purine-2,6-dione

Systemtic Name: 8-(azepan-1-ylmethyl)-3-butyl-7-ethyl-purine-2,6-dione Openeye Name: 8-(azepan-1-ylmethyl)-3-butyl-7-ethyl-purine-2,6-dione CAS Name: 8-(1-azepanylmethyl)-3-butyl-7-ethylpurine-2,6-dione IUPAC Name: 8-(azepan-1-ylmethyl)-3-butyl-7-ethylpurine-2,6-dione Traditional Name: 8-(azepan-1-ylmethyl)-3-butyl-7-ethyl-xanthine Formula: C18H29N5O2 MolecularWeight: 347.45516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCCCC3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCCCC3)CC

InChI

InChI=1S/C18H29N5O2/c1-3-5-12-23-16-15(17(24)20-18(23)25)22(4-2)14(19-16)13-21-10-8-6-7-9-11-21/h3-13H2,1-2H3,(H,20,24,25)