7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-xanthine Formula: C20H25N5O5 MolecularWeight: 415.443

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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=C(C=C3)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O5/c1-5-10-21-19-22-17-16(18(27)24(3)20(28)23(17)2)25(19)11-13(26)12-30-15-8-6-14(29-4)7-9-15/h5-9,13,26H,1,10-12H2,2-4H3,(H,21,22)/t13-/m1/s1