N-[2-(3,4-dimethoxyphenyl)ethyl]-9-phenyl-purin-6-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-9-phenyl-purin-6-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-9-phenyl-purin-6-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-9-phenyl-6-purinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-9-phenylpurin-6-amine Traditional Name: homoveratryl-(9-phenylpurin-6-yl)amine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC3=C2N=CN3C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC3=C2N=CN3C4=CC=CC=C4)OC

InChI

InChI=1S/C21H21N5O2/c1-27-17-9-8-15(12-18(17)28-2)10-11-22-20-19-21(24-13-23-20)26(14-25-19)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,22,23,24)