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

Systemtic Name: 8-(azepan-1-yl)-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(azepan-1-yl)-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(azepan-1-yl)-3-methyl-xanthine Formula: C15H21N5O2 MolecularWeight: 303.35954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC=C

InChI

InChI=1S/C15H21N5O2/c1-3-8-20-11-12(18(2)15(22)17-13(11)21)16-14(20)19-9-6-4-5-7-10-19/h3H,1,4-10H2,2H3,(H,17,21,22)