8-(furan-2-yl)-N2-(3-phenylpropyl)-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine

Systemtic Name: 8-(furan-2-yl)-N2-(3-phenylpropyl)-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine Openeye Name: 8-(2-furyl)-N2-(3-phenylpropyl)-9-[1-(4-pyridyl)propyl]purine-2,6-diamine CAS Name: 8-(2-furanyl)-N2-(3-phenylpropyl)-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine IUPAC Name: 8-(furan-2-yl)-2-N-(3-phenylpropyl)-9-(1-pyridin-4-ylpropyl)purine-2,6-diamine Traditional Name: [6-amino-8-(2-furyl)-9-[1-(4-pyridyl)propyl]purin-2-yl]-(3-phenylpropyl)amine Formula: C26H27N7O MolecularWeight: 453.53888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)N2C3=C(C(=NC(=N3)NCCCC4=CC=CC=C4)N)N=C2C5=CC=CO5

Isomeric SMILES

CCC(C1=CC=NC=C1)N2C3=C(C(=NC(=N3)NCCCC4=CC=CC=C4)N)N=C2C5=CC=CO5

InChI

InChI=1S/C26H27N7O/c1-2-20(19-12-15-28-16-13-19)33-24(21-11-7-17-34-21)30-22-23(27)31-26(32-25(22)33)29-14-6-10-18-8-4-3-5-9-18/h3-5,7-9,11-13,15-17,20H,2,6,10,14H2,1H3,(H3,27,29,31,32)