3-methyl-7-[(2R)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2R)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-[(2R)-2-hydroxy-3-(2-naphthyloxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(2-naphthalenyloxy)propyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-[(2R)-2-hydroxy-3-(2-naphthoxy)propyl]-3-methyl-xanthine Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)CC(COC3=CC4=CC=CC=C4C=C3)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)C[C@H](COC3=CC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C22H23N5O4/c1-3-10-23-21-24-19-18(20(29)25-22(30)26(19)2)27(21)12-16(28)13-31-17-9-8-14-6-4-5-7-15(14)11-17/h3-9,11,16,28H,1,10,12-13H2,2H3,(H,23,24)(H,25,29,30)/t16-/m1/s1