7-(2-diethylaminoethyl)-1,3-dimethyl-8-[[(2S)-1-oxidanylbutan-2-yl]amino]purine-2,6-dione

Systemtic Name: 7-(2-diethylaminoethyl)-1,3-dimethyl-8-[[(2S)-1-oxidanylbutan-2-yl]amino]purine-2,6-dione Openeye Name: 7-(2-diethylaminoethyl)-8-[[(1S)-1-(hydroxymethyl)propyl]amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2-diethylaminoethyl)-8-[[(2S)-1-hydroxybutan-2-yl]amino]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-diethylaminoethyl)-8-[[(2S)-1-hydroxybutan-2-yl]amino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-diethylaminoethyl)-1,3-dimethyl-8-[[(1S)-1-methylolpropyl]amino]xanthine Formula: C17H30N6O3 MolecularWeight: 366.4585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(N1CCN(CC)CC)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC[C@@H](CO)NC1=NC2=C(N1CCN(CC)CC)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H30N6O3/c1-6-12(11-24)18-16-19-14-13(15(25)21(5)17(26)20(14)4)23(16)10-9-22(7-2)8-3/h12,24H,6-11H2,1-5H3,(H,18,19)/t12-/m0/s1