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

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]-8-(propylamino)purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-3-methyl-8-(propylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-(propylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-(propylamino)purine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-3-methyl-8-(propylamino)xanthine Formula: C15H23N5O4 MolecularWeight: 337.37422

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1CC(COCC=C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCNC1=NC2=C(N1C[C@H](COCC=C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H23N5O4/c1-4-6-16-14-17-12-11(13(22)18-15(23)19(12)3)20(14)8-10(21)9-24-7-5-2/h5,10,21H,2,4,6-9H2,1,3H3,(H,16,17)(H,18,22,23)/t10-/m1/s1