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

Systemtic Name: 7-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(3-methylbutylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(isopentylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(3-methylbutylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(3-methylbutylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-8-(isoamylamino)-3-methyl-xanthine Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC2=C(N1CC(COC3=CC=C(C=C3)OC)O)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CCNC1=NC2=C(N1C[C@H](COC3=CC=C(C=C3)OC)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C21H29N5O5/c1-13(2)9-10-22-20-23-18-17(19(28)24-21(29)25(18)3)26(20)11-14(27)12-31-16-7-5-15(30-4)6-8-16/h5-8,13-14,27H,9-12H2,1-4H3,(H,22,23)(H,24,28,29)/t14-/m1/s1