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

Systemtic Name: 8-(butan-2-ylamino)-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 3-methyl-7-octyl-8-(sec-butylamino)purine-2,6-dione CAS Name: 8-(butan-2-ylamino)-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-(butan-2-ylamino)-3-methyl-7-octylpurine-2,6-dione Traditional Name: 3-methyl-7-octyl-8-(sec-butylamino)xanthine Formula: C18H31N5O2 MolecularWeight: 349.47104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1NC(C)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1NC(C)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H31N5O2/c1-5-7-8-9-10-11-12-23-14-15(20-17(23)19-13(3)6-2)22(4)18(25)21-16(14)24/h13H,5-12H2,1-4H3,(H,19,20)(H,21,24,25)