8-(azepan-1-yl)-1,9-dimethyl-3-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-1,9-dimethyl-3-prop-2-enyl-purine-2,6-dione Openeye Name: 3-allyl-8-(azepan-1-yl)-1,9-dimethyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-1,9-dimethyl-3-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-1,9-dimethyl-3-prop-2-enylpurine-2,6-dione Traditional Name: 3-allyl-8-(azepan-1-yl)-1,9-dimethyl-xanthine Formula: C16H23N5O2 MolecularWeight: 317.38612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2CC=C)C)N=C1N3CCCCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2CC=C)C)N=C1N3CCCCCC3

InChI

InChI=1S/C16H23N5O2/c1-4-9-21-13-12(14(22)19(3)16(21)23)17-15(18(13)2)20-10-7-5-6-8-11-20/h4H,1,5-11H2,2-3H3