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

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]-8-(pyridin-3-ylmethylamino)purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-3-methyl-8-(3-pyridylmethylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-(3-pyridinylmethylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-3-methyl-8-(3-pyridylmethylamino)xanthine Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CN=CC=C3)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CN=CC=C3)C[C@H](COCC=C)O

InChI

InChI=1S/C18H22N6O4/c1-3-7-28-11-13(25)10-24-14-15(23(2)18(27)22-16(14)26)21-17(24)20-9-12-5-4-6-19-8-12/h3-6,8,13,25H,1,7,9-11H2,2H3,(H,20,21)(H,22,26,27)/t13-/m1/s1