8-(butan-2-ylamino)-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione

Systemtic Name: 8-(butan-2-ylamino)-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-8-(sec-butylamino)purine-2,6-dione CAS Name: 8-(butan-2-ylamino)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(butan-2-ylamino)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-8-(sec-butylamino)xanthine Formula: C16H27N5O4 MolecularWeight: 353.41668

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC2=C(N1CC(COC(C)C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C)NC1=NC2=C(N1CC(COC(C)C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H27N5O4/c1-6-10(4)17-15-18-13-12(14(23)19-16(24)20(13)5)21(15)7-11(22)8-25-9(2)3/h9-11,22H,6-8H2,1-5H3,(H,17,18)(H,19,23,24)