8-(butylamino)-3-methyl-7-[(2R)-2-oxidanyl-3-propan-2-yloxy-propyl]purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC(COC(C)C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCNC1=NC2=C(N1C[C@H](COC(C)C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H27N5O4/c1-5-6-7-17-15-18-13-12(14(23)19-16(24)20(13)4)21(15)8-11(22)9-25-10(2)3/h10-11,22H,5-9H2,1-4H3,(H,17,18)(H,19,23,24)/t11-/m1/s1