8-(azepan-1-yl)-7-[(E)-but-2-enyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-7-[(E)-but-2-enyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-[(E)-but-2-enyl]-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-[(E)-but-2-enyl]-3-methylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-[(E)-but-2-enyl]-3-methyl-xanthine Formula: C16H23N5O2 MolecularWeight: 317.38612

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

C/C=C/CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H23N5O2/c1-3-4-11-21-12-13(19(2)16(23)18-14(12)22)17-15(21)20-9-7-5-6-8-10-20/h3-4H,5-11H2,1-2H3,(H,18,22,23)/b4-3+