3-methyl-8-(3-methylbutylamino)-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(3-methylbutylamino)-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(isopentylamino)-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-(3-methylbutylamino)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 3-methyl-8-(3-methylbutylamino)-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(isoamylamino)-7-isopropyl-3-methyl-xanthine Formula: C14H23N5O2 MolecularWeight: 293.36472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CCNC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H23N5O2/c1-8(2)6-7-15-13-16-11-10(19(13)9(3)4)12(20)17-14(21)18(11)5/h8-9H,6-7H2,1-5H3,(H,15,16)(H,17,20,21)