N-[(2,3-dimethoxyphenyl)methyl]-9-propyl-purin-2-amine dihydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=CN=C(N=C21)NCC3=C(C(=CC=C3)OC)OC.Cl.Cl

Isomeric SMILES

CCCN1C=NC2=CN=C(N=C21)NCC3=C(C(=CC=C3)OC)OC.Cl.Cl

InChI

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