9-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-6-phenylmethoxy-purin-2-amine

Systemtic Name: 9-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-6-phenylmethoxy-purin-2-amine Openeye Name: 6-benzyloxy-9-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]purin-2-amine CAS Name: 9-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-6-phenylmethoxy-2-purinamine IUPAC Name: 9-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-6-phenylmethoxypurin-2-amine Traditional Name: [6-benzoxy-9-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]purin-2-yl]amine Formula: C20H25N5O3 MolecularWeight: 383.4442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)C

Isomeric SMILES

CC1(OCC(CO1)CCN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)C

InChI

InChI=1S/C20H25N5O3/c1-20(2)27-11-15(12-28-20)8-9-25-13-22-16-17(25)23-19(21)24-18(16)26-10-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,21,23,24)