3-methyl-8-(pentylamino)-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(pentylamino)-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-8-(pentylamino)-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-(pentylamino)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-(pentylamino)-7-propylpurine-2,6-dione Traditional Name: 8-(amylamino)-3-methyl-7-propyl-xanthine Formula: C14H23N5O2 MolecularWeight: 293.36472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(N1CCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCNC1=NC2=C(N1CCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H23N5O2/c1-4-6-7-8-15-13-16-11-10(19(13)9-5-2)12(20)17-14(21)18(11)3/h4-9H2,1-3H3,(H,15,16)(H,17,20,21)