8-(furan-2-yl)-2-(3-phenylpropylsulfanyl)-9-(1-pyridin-4-ylpropyl)purin-6-amine

Systemtic Name: 8-(furan-2-yl)-2-(3-phenylpropylsulfanyl)-9-(1-pyridin-4-ylpropyl)purin-6-amine Openeye Name: 8-(2-furyl)-2-(3-phenylpropylsulfanyl)-9-[1-(4-pyridyl)propyl]purin-6-amine CAS Name: 8-(2-furanyl)-2-(3-phenylpropylthio)-9-(1-pyridin-4-ylpropyl)-6-purinamine IUPAC Name: 8-(furan-2-yl)-2-(3-phenylpropylsulfanyl)-9-(1-pyridin-4-ylpropyl)purin-6-amine Traditional Name: [8-(2-furyl)-2-(3-phenylpropylthio)-9-[1-(4-pyridyl)propyl]purin-6-yl]amine Formula: C26H26N6OS MolecularWeight: 470.58924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)N2C3=C(C(=NC(=N3)SCCCC4=CC=CC=C4)N)N=C2C5=CC=CO5

Isomeric SMILES

CCC(C1=CC=NC=C1)N2C3=C(C(=NC(=N3)SCCCC4=CC=CC=C4)N)N=C2C5=CC=CO5

InChI

InChI=1S/C26H26N6OS/c1-2-20(19-12-14-28-15-13-19)32-24(21-11-6-16-33-21)29-22-23(27)30-26(31-25(22)32)34-17-7-10-18-8-4-3-5-9-18/h3-6,8-9,11-16,20H,2,7,10,17H2,1H3,(H2,27,30,31)