1,3,7-trimethyl-8-[[(2R)-1-oxidanylbutan-2-yl]amino]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[[(2R)-1-oxidanylbutan-2-yl]amino]purine-2,6-dione Openeye Name: 8-[[(1R)-1-(hydroxymethyl)propyl]amino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[[(1R)-1-methylolpropyl]amino]xanthine Formula: C12H19N5O3 MolecularWeight: 281.31096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC[C@H](CO)NC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H19N5O3/c1-5-7(6-18)13-11-14-9-8(15(11)2)10(19)17(4)12(20)16(9)3/h7,18H,5-6H2,1-4H3,(H,13,14)/t7-/m1/s1