8-[[(2S)-2-ethylhexyl]amino]-3-methyl-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione

Systemtic Name: 8-[[(2S)-2-ethylhexyl]amino]-3-methyl-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 8-[[(2S)-2-ethylhexyl]amino]-7-[(2S)-2-hydroxypropyl]-3-methyl-purine-2,6-dione CAS Name: 8-[[(2S)-2-ethylhexyl]amino]-7-[(2S)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[[(2S)-2-ethylhexyl]amino]-7-[(2S)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-[[(2S)-2-ethylhexyl]amino]-7-[(2S)-2-hydroxypropyl]-3-methyl-xanthine Formula: C17H29N5O3 MolecularWeight: 351.44386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC2=C(N1CC(C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCC[C@H](CC)CNC1=NC2=C(N1C[C@H](C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H29N5O3/c1-5-7-8-12(6-2)9-18-16-19-14-13(22(16)10-11(3)23)15(24)20-17(25)21(14)4/h11-12,23H,5-10H2,1-4H3,(H,18,19)(H,20,24,25)/t11-,12-/m0/s1