N-[(3,4-dimethoxyphenyl)methyl]-9-propyl-purin-2-amine dihydrochloride

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-9-propyl-purin-2-amine dihydrochloride Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-9-propyl-purin-2-amine dihydrochloride CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-9-propyl-2-purinamine dihydrochloride IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-9-propylpurin-2-amine dihydrochloride Traditional Name: (9-propylpurin-2-yl)-veratryl-amine dihydrochloride Formula: C17H23Cl2N5O2 MolecularWeight: 400.30282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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