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

Systemtic Name: 1,3-dimethyl-8-(3-methylbutylamino)-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-8-(isopentylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethyl-8-(3-methylbutylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-dimethyl-8-(3-methylbutylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-8-(isoamylamino)-1,3-dimethyl-xanthine Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O4/c1-14(2)10-11-22-20-23-18-17(19(28)25(4)21(29)24(18)3)26(20)12-15(27)13-30-16-8-6-5-7-9-16/h5-9,14-15,27H,10-13H2,1-4H3,(H,22,23)/t15-/m1/s1