8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-7-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-7-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-8-[3-(1-imidazolyl)propylamino]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-8-(3-imidazol-1-ylpropylamino)-1,3-dimethyl-xanthine Formula: C23H29N7O4 MolecularWeight: 467.52086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCCCN4C=CN=C4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](CN2C3=C(N=C2NCCCN4C=CN=C4)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C23H29N7O4/c1-16-6-4-7-18(12-16)34-14-17(31)13-30-19-20(27(2)23(33)28(3)21(19)32)26-22(30)25-8-5-10-29-11-9-24-15-29/h4,6-7,9,11-12,15,17,31H,5,8,10,13-14H2,1-3H3,(H,25,26)/t17-/m0/s1