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

Systemtic Name: 8-(ethylamino)-3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(ethylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(ethylamino)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(ethylamino)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(ethylamino)-3-methyl-xanthine Formula: C14H21N5O4 MolecularWeight: 323.34764

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC(COCC=C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCNC1=NC2=C(N1C[C@H](COCC=C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H21N5O4/c1-4-6-23-8-9(20)7-19-10-11(16-13(19)15-5-2)18(3)14(22)17-12(10)21/h4,9,20H,1,5-8H2,2-3H3,(H,15,16)(H,17,21,22)/t9-/m1/s1