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

Systemtic Name: 7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-xanthine Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O5/c1-4-9-20-18-21-16-15(17(26)22-19(27)23(16)2)24(18)10-12(25)11-29-14-7-5-13(28-3)6-8-14/h4-8,12,25H,1,9-11H2,2-3H3,(H,20,21)(H,22,26,27)/t12-/m1/s1