8-(butan-2-ylamino)-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(butan-2-ylamino)-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(sec-butylamino)purine-2,6-dione CAS Name: 8-(butan-2-ylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(butan-2-ylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(sec-butylamino)xanthine Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC2=C(N1CC(COC3=CC=C(C=C3)OC)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC(C)NC1=NC2=C(N1CC(COC3=CC=C(C=C3)OC)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H29N5O5/c1-6-13(2)22-20-23-18-17(19(28)25(4)21(29)24(18)3)26(20)11-14(27)12-31-16-9-7-15(30-5)8-10-16/h7-10,13-14,27H,6,11-12H2,1-5H3,(H,22,23)