8-(hexylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 8-(hexylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-(hexylamino)-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-(hexylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(hexylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(hexylamino)-7-isoamyl-3-methyl-xanthine Formula: C17H29N5O2 MolecularWeight: 335.44446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCNC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H29N5O2/c1-5-6-7-8-10-18-16-19-14-13(22(16)11-9-12(2)3)15(23)20-17(24)21(14)4/h12H,5-11H2,1-4H3,(H,18,19)(H,20,23,24)