3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]-8-[[(2R)-2-oxidanylpropyl]amino]purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]-8-[[(2R)-2-oxidanylpropyl]amino]purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-8-[[(2R)-2-hydroxypropyl]amino]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-8-[[(2R)-2-hydroxypropyl]amino]-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-xanthine Formula: C15H23N5O5 MolecularWeight: 353.37362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N5O5/c1-4-5-25-8-10(22)7-20-11-12(17-14(20)16-6-9(2)21)19(3)15(24)18-13(11)23/h4,9-10,21-22H,1,5-8H2,2-3H3,(H,16,17)(H,18,23,24)/t9-,10-/m1/s1