5-[2-azanyl-6-(3-imidazol-1-ylpropylamino)purin-9-yl]-2-(hydroxymethyl)-2,5-dimethyl-oxolan-3-ol

Systemtic Name: 5-[2-azanyl-6-(3-imidazol-1-ylpropylamino)purin-9-yl]-2-(hydroxymethyl)-2,5-dimethyl-oxolan-3-ol Openeye Name: 5-[2-amino-6-(3-imidazol-1-ylpropylamino)purin-9-yl]-2-(hydroxymethyl)-2,5-dimethyl-tetrahydrofuran-3-ol CAS Name: 5-[2-amino-6-[3-(1-imidazolyl)propylamino]-9-purinyl]-2-(hydroxymethyl)-2,5-dimethyl-3-oxolanol IUPAC Name: 5-[2-amino-6-(3-imidazol-1-ylpropylamino)purin-9-yl]-2-(hydroxymethyl)-2,5-dimethyloxolan-3-ol Traditional Name: 5-[2-amino-6-(3-imidazol-1-ylpropylamino)purin-9-yl]-2,5-dimethyl-2-methylol-tetrahydrofuran-3-ol Formula: C18H26N8O3 MolecularWeight: 402.45084

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(O1)(C)CO)O)N2C=NC3=C2N=C(N=C3NCCCN4C=CN=C4)N

Isomeric SMILES

CC1(CC(C(O1)(C)CO)O)N2C=NC3=C2N=C(N=C3NCCCN4C=CN=C4)N

InChI

InChI=1S/C18H26N8O3/c1-17(9-27)12(28)8-18(2,29-17)26-11-22-13-14(23-16(19)24-15(13)26)21-4-3-6-25-7-5-20-10-25/h5,7,10-12,27-28H,3-4,6,8-9H2,1-2H3,(H3,19,21,23,24)