1,3-dimethyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-[(2R)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-xanthine Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC=C)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC=C)C[C@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C19H23N5O4/c1-4-10-20-18-21-16-15(17(26)23(3)19(27)22(16)2)24(18)11-13(25)12-28-14-8-6-5-7-9-14/h4-9,13,25H,1,10-12H2,2-3H3,(H,20,21)/t13-/m1/s1