2-(3-phenylpropoxy)-9-(1-pyridin-4-ylpropyl)purin-6-amine

Systemtic Name: 2-(3-phenylpropoxy)-9-(1-pyridin-4-ylpropyl)purin-6-amine Openeye Name: 2-(3-phenylpropoxy)-9-[1-(4-pyridyl)propyl]purin-6-amine CAS Name: 2-(3-phenylpropoxy)-9-(1-pyridin-4-ylpropyl)-6-purinamine IUPAC Name: 2-(3-phenylpropoxy)-9-(1-pyridin-4-ylpropyl)purin-6-amine Traditional Name: [2-(3-phenylpropoxy)-9-[1-(4-pyridyl)propyl]purin-6-yl]amine Formula: C22H24N6O MolecularWeight: 388.46556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)N2C=NC3=C2N=C(N=C3N)OCCCC4=CC=CC=C4

Isomeric SMILES

CCC(C1=CC=NC=C1)N2C=NC3=C2N=C(N=C3N)OCCCC4=CC=CC=C4

InChI

InChI=1S/C22H24N6O/c1-2-18(17-10-12-24-13-11-17)28-15-25-19-20(23)26-22(27-21(19)28)29-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15,18H,2,6,9,14H2,1H3,(H2,23,26,27)