7-[(2R)-3-[bis(2-methylpropyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2R)-3-[bis(2-methylpropyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2R)-3-(diisobutylamino)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-3-(diisobutylamino)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C18H31N5O3 MolecularWeight: 365.47044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CC(C)CN(C[C@H](CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O)CC(C)C

InChI

InChI=1S/C18H31N5O3/c1-12(2)7-22(8-13(3)4)9-14(24)10-23-11-19-16-15(23)17(25)21(6)18(26)20(16)5/h11-14,24H,7-10H2,1-6H3/t14-/m1/s1