8-(azepan-1-yl)-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(azepan-1-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(azepan-1-yl)-1,3-dimethyl-xanthine Formula: C16H23N5O2 MolecularWeight: 317.38612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CC=C

InChI

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