1-[2-[1,3-bis(oxidanyl)propan-2-ylamino]ethyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[2-[1,3-bis(oxidanyl)propan-2-ylamino]ethyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[2-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]ethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[2-[(2-hydroxy-1-methylol-ethyl)amino]ethyl]-3,7-dimethyl-xanthine Formula: C12H19N5O4 MolecularWeight: 297.31036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCNC(CO)CO

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCNC(CO)CO

InChI

InChI=1S/C12H19N5O4/c1-15-7-14-10-9(15)11(20)17(12(21)16(10)2)4-3-13-8(5-18)6-19/h7-8,13,18-19H,3-6H2,1-2H3