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

Systemtic Name: 5-[2-(2-azanyl-6-phenylmethoxy-purin-9-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol Openeye Name: 5-[2-(2-amino-6-benzyloxy-purin-9-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol CAS Name: 5-[2-(2-amino-6-phenylmethoxy-9-purinyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol IUPAC Name: 5-[2-(2-amino-6-phenylmethoxypurin-9-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol Traditional Name: 5-[2-(2-amino-6-benzoxy-purin-9-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-19(2)28-11-20(26,12-29-19)8-9-25-13-22-15-16(25)23-18(21)24-17(15)27-10-14-6-4-3-5-7-14/h3-7,13,26H,8-12H2,1-2H3,(H2,21,23,24)