3-[[9-(2-hydroxyethyl)-6-[(3-methoxyphenyl)amino]purin-2-yl]amino]propan-1-ol

Systemtic Name: 3-[[9-(2-hydroxyethyl)-6-[(3-methoxyphenyl)amino]purin-2-yl]amino]propan-1-ol Openeye Name: 3-[[9-(2-hydroxyethyl)-6-(3-methoxyanilino)purin-2-yl]amino]propan-1-ol CAS Name: 3-[[9-(2-hydroxyethyl)-6-(3-methoxyanilino)-2-purinyl]amino]-1-propanol IUPAC Name: 3-[[9-(2-hydroxyethyl)-6-(3-methoxyanilino)purin-2-yl]amino]propan-1-ol Traditional Name: 3-[[9-(2-hydroxyethyl)-6-(m-anisidino)purin-2-yl]amino]propan-1-ol Formula: C17H22N6O3 MolecularWeight: 358.39498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC3=C2N=CN3CCO)NCCCO

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC3=C2N=CN3CCO)NCCCO

InChI

InChI=1S/C17H22N6O3/c1-26-13-5-2-4-12(10-13)20-15-14-16(23(7-9-25)11-19-14)22-17(21-15)18-6-3-8-24/h2,4-5,10-11,24-25H,3,6-9H2,1H3,(H2,18,20,21,22)