3-[[9-ethyl-2-(3-oxidanylpropylamino)purin-6-yl]amino]-2-methyl-N-(3-oxidanylpropyl)benzamide

Systemtic Name: 3-[[9-ethyl-2-(3-oxidanylpropylamino)purin-6-yl]amino]-2-methyl-N-(3-oxidanylpropyl)benzamide Openeye Name: 3-[[9-ethyl-2-(3-hydroxypropylamino)purin-6-yl]amino]-N-(3-hydroxypropyl)-2-methyl-benzamide CAS Name: 3-[[9-ethyl-2-(3-hydroxypropylamino)-6-purinyl]amino]-N-(3-hydroxypropyl)-2-methylbenzamide IUPAC Name: 3-[[9-ethyl-2-(3-hydroxypropylamino)purin-6-yl]amino]-N-(3-hydroxypropyl)-2-methylbenzamide Traditional Name: 3-[[9-ethyl-2-(3-hydroxypropylamino)purin-6-yl]amino]-N-(3-hydroxypropyl)-2-methyl-benzamide Formula: C21H29N7O3 MolecularWeight: 427.50006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3C)C(=O)NCCCO)NCCCO

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3C)C(=O)NCCCO)NCCCO

InChI

InChI=1S/C21H29N7O3/c1-3-28-13-24-17-18(26-21(27-19(17)28)23-10-6-12-30)25-16-8-4-7-15(14(16)2)20(31)22-9-5-11-29/h4,7-8,13,29-30H,3,5-6,9-12H2,1-2H3,(H,22,31)(H2,23,25,26,27)