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

Systemtic Name: 3-methyl-7-[(2S)-2-oxidanylpropyl]-8-[[(2R)-2-oxidanylpropyl]amino]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxypropyl]-8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxypropyl]-8-[[(2R)-2-hydroxypropyl]amino]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxypropyl]-8-[[(2R)-2-hydroxypropyl]amino]-3-methylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxypropyl]-8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-xanthine Formula: C12H19N5O4 MolecularWeight: 297.31036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N5O4/c1-6(18)4-13-11-14-9-8(17(11)5-7(2)19)10(20)15-12(21)16(9)3/h6-7,18-19H,4-5H2,1-3H3,(H,13,14)(H,15,20,21)/t6-,7+/m1/s1