2-phenethyloxy-9-(1-pyridin-4-ylpropyl)purin-6-amine

Systemtic Name: 2-phenethyloxy-9-(1-pyridin-4-ylpropyl)purin-6-amine Openeye Name: 2-phenethyloxy-9-[1-(4-pyridyl)propyl]purin-6-amine CAS Name: 2-phenethyloxy-9-(1-pyridin-4-ylpropyl)-6-purinamine IUPAC Name: 2-phenethyloxy-9-(1-pyridin-4-ylpropyl)purin-6-amine Traditional Name: [2-phenethyloxy-9-[1-(4-pyridyl)propyl]purin-6-yl]amine Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)N2C=NC3=C2N=C(N=C3N)OCCC4=CC=CC=C4

Isomeric SMILES

CCC(C1=CC=NC=C1)N2C=NC3=C2N=C(N=C3N)OCCC4=CC=CC=C4

InChI

InChI=1S/C21H22N6O/c1-2-17(16-8-11-23-12-9-16)27-14-24-18-19(22)25-21(26-20(18)27)28-13-10-15-6-4-3-5-7-15/h3-9,11-12,14,17H,2,10,13H2,1H3,(H2,22,25,26)