N-[(2,3-dimethoxyphenyl)methyl]-9-propan-2-yl-purin-8-amine dihydrochloride

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-9-propan-2-yl-purin-8-amine dihydrochloride Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-9-isopropyl-purin-8-amine dihydrochloride CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-9-propan-2-yl-8-purinamine dihydrochloride IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-9-propan-2-ylpurin-8-amine dihydrochloride Traditional Name: (9-isopropylpurin-8-yl)-o-veratryl-amine dihydrochloride Formula: C17H23Cl2N5O2 MolecularWeight: 400.30282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=NC=C2N=C1NCC3=C(C(=CC=C3)OC)OC.Cl.Cl

Isomeric SMILES

CC(C)N1C2=NC=NC=C2N=C1NCC3=C(C(=CC=C3)OC)OC.Cl.Cl

InChI

InChI=1S/C17H21N5O2.2ClH/c1-11(2)22-16-13(9-18-10-20-16)21-17(22)19-8-12-6-5-7-14(23-3)15(12)24-4;;/h5-7,9-11H,8H2,1-4H3,(H,19,21);2*1H