2-chloranyl-9-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-N-methyl-purin-6-amine

Systemtic Name: 2-chloranyl-9-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-N-methyl-purin-6-amine Openeye Name: 2-chloro-9-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-N-methyl-purin-6-amine CAS Name: 2-chloro-9-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-N-methyl-6-purinamine IUPAC Name: 2-chloro-9-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-N-methylpurin-6-amine Traditional Name: [2-chloro-9-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]purin-6-yl]-methyl-amine Formula: C13H18ClN5O2 MolecularWeight: 311.76732

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CN2C=NC3=C2N=C(N=C3NC)Cl)C

Isomeric SMILES

CC1(OCC(CO1)CN2C=NC3=C2N=C(N=C3NC)Cl)C

InChI

InChI=1S/C13H18ClN5O2/c1-13(2)20-5-8(6-21-13)4-19-7-16-9-10(15-3)17-12(14)18-11(9)19/h7-8H,4-6H2,1-3H3,(H,15,17,18)