7-heptan-2-yl-8-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 7-heptan-2-yl-8-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-methyl-7-(1-methylhexyl)-1,3-dipropyl-purine-2,6-dione CAS Name: 7-heptan-2-yl-8-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-heptan-2-yl-8-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-methyl-7-(1-methylhexyl)-1,3-dipropyl-xanthine Formula: C19H32N4O2 MolecularWeight: 348.48298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)N1C(=NC2=C1C(=O)N(C(=O)N2CCC)CCC)C

Isomeric SMILES

CCCCCC(C)N1C(=NC2=C1C(=O)N(C(=O)N2CCC)CCC)C

InChI

InChI=1S/C19H32N4O2/c1-6-9-10-11-14(4)23-15(5)20-17-16(23)18(24)22(13-8-3)19(25)21(17)12-7-2/h14H,6-13H2,1-5H3