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

Systemtic Name: 7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-8-[(3-methylphenyl)amino]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(3-methylanilino)purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(3-methylanilino)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(3-methylanilino)purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(m-toluidino)xanthine Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(N2CC(COC4=CC=C(C=C4)OC)O)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(N2CC(COC4=CC=C(C=C4)OC)O)C(=O)NC(=O)N3C

InChI

InChI=1S/C23H25N5O5/c1-14-5-4-6-15(11-14)24-22-25-20-19(21(30)26-23(31)27(20)2)28(22)12-16(29)13-33-18-9-7-17(32-3)8-10-18/h4-11,16,29H,12-13H2,1-3H3,(H,24,25)(H,26,30,31)