3-[[6-[(4-methoxyphenyl)methylamino]-2-(3-oxidanylpropylamino)-7H-purin-8-yl]amino]propan-1-ol

Systemtic Name: 3-[[6-[(4-methoxyphenyl)methylamino]-2-(3-oxidanylpropylamino)-7H-purin-8-yl]amino]propan-1-ol Openeye Name: 3-[[2-(3-hydroxypropylamino)-6-[(4-methoxyphenyl)methylamino]-7H-purin-8-yl]amino]propan-1-ol CAS Name: 3-[[2-(3-hydroxypropylamino)-6-[(4-methoxyphenyl)methylamino]-7H-purin-8-yl]amino]-1-propanol IUPAC Name: 3-[[2-(3-hydroxypropylamino)-6-[(4-methoxyphenyl)methylamino]-7H-purin-8-yl]amino]propan-1-ol Traditional Name: 3-[[2-(3-hydroxypropylamino)-6-(p-anisylamino)-7H-purin-8-yl]amino]propan-1-ol Formula: C19H27N7O3 MolecularWeight: 401.46278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2NC(=N3)NCCCO)NCCCO

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2NC(=N3)NCCCO)NCCCO

InChI

InChI=1S/C19H27N7O3/c1-29-14-6-4-13(5-7-14)12-22-16-15-17(25-18(23-15)20-8-2-10-27)26-19(24-16)21-9-3-11-28/h4-7,27-28H,2-3,8-12H2,1H3,(H4,20,21,22,23,24,25,26)