8-(2-azanylethylamino)-3-methyl-7-octyl-purine-2,6-dione

Systemtic Name: 8-(2-azanylethylamino)-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-(2-aminoethylamino)-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-(2-aminoethylamino)-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-(2-aminoethylamino)-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-(2-aminoethylamino)-3-methyl-7-octyl-xanthine Formula: C16H28N6O2 MolecularWeight: 336.43252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1NCCN)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1NCCN)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H28N6O2/c1-3-4-5-6-7-8-11-22-12-13(19-15(22)18-10-9-17)21(2)16(24)20-14(12)23/h3-11,17H2,1-2H3,(H,18,19)(H,20,23,24)