7-[2-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-6-phenylmethoxy-purin-2-amine

Systemtic Name: 7-[2-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-6-phenylmethoxy-purin-2-amine Openeye Name: 6-benzyloxy-7-[2-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)ethyl]purin-2-amine CAS Name: 7-[2-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-6-phenylmethoxy-2-purinamine IUPAC Name: 7-[2-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-6-phenylmethoxypurin-2-amine Traditional Name: [6-benzoxy-7-[2-(5-methoxy-2,2-dimethyl-1,3-dioxan-5-yl)ethyl]purin-2-yl]amine Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)(CCN2C=NC3=C2C(=NC(=N3)N)OCC4=CC=CC=C4)OC)C

Isomeric SMILES

CC1(OCC(CO1)(CCN2C=NC3=C2C(=NC(=N3)N)OCC4=CC=CC=C4)OC)C

InChI

InChI=1S/C21H27N5O4/c1-20(2)29-12-21(27-3,13-30-20)9-10-26-14-23-17-16(26)18(25-19(22)24-17)28-11-15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H2,22,24,25)