8-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-3-butyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-3-butyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[3-(azepan-1-yl)-3-oxo-propyl]-3-butyl-7-pentyl-purine-2,6-dione CAS Name: 8-[3-(1-azepanyl)-3-oxopropyl]-3-butyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[3-(azepan-1-yl)-3-oxopropyl]-3-butyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[3-(azepan-1-yl)-3-keto-propyl]-3-butyl-xanthine Formula: C23H37N5O3 MolecularWeight: 431.57158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCCCCC3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3CCCCCC3

InChI

InChI=1S/C23H37N5O3/c1-3-5-9-17-27-18(12-13-19(29)26-14-10-7-8-11-15-26)24-21-20(27)22(30)25-23(31)28(21)16-6-4-2/h3-17H2,1-2H3,(H,25,30,31)