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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCCCN4C=CN=C4)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@H](CN2C3=C(N=C2NCCCN4C=CN=C4)N(C(=O)NC3=O)C)O

InChI

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