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

Systemtic Name: 2-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-9-propyl-purin-6-amine Openeye Name: 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-9-propyl-purin-6-amine CAS Name: 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-9-propyl-6-purinamine IUPAC Name: 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-9-propylpurin-6-amine Traditional Name: (2-chloro-9-propyl-purin-6-yl)-veratryl-amine Formula: C17H20ClN5O2 MolecularWeight: 361.826

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1N=C(N=C2NCC3=CC(=C(C=C3)OC)OC)Cl

Isomeric SMILES

CCCN1C=NC2=C1N=C(N=C2NCC3=CC(=C(C=C3)OC)OC)Cl

InChI

InChI=1S/C17H20ClN5O2/c1-4-7-23-10-20-14-15(21-17(18)22-16(14)23)19-9-11-5-6-12(24-2)13(8-11)25-3/h5-6,8,10H,4,7,9H2,1-3H3,(H,19,21,22)