9-[(3,4-dimethoxyphenyl)methyl]-N-propyl-purin-6-amine

Systemtic Name: 9-[(3,4-dimethoxyphenyl)methyl]-N-propyl-purin-6-amine Openeye Name: 9-[(3,4-dimethoxyphenyl)methyl]-N-propyl-purin-6-amine CAS Name: 9-[(3,4-dimethoxyphenyl)methyl]-N-propyl-6-purinamine IUPAC Name: 9-[(3,4-dimethoxyphenyl)methyl]-N-propylpurin-6-amine Traditional Name: propyl-(9-veratrylpurin-6-yl)amine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC2=C1N=CN2CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCNC1=NC=NC2=C1N=CN2CC3=CC(=C(C=C3)OC)OC

InChI

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