8-(furan-2-yl)-2-(3-phenylpropylsulfanyl)-9-prop-2-enyl-purin-6-amine

Systemtic Name: 8-(furan-2-yl)-2-(3-phenylpropylsulfanyl)-9-prop-2-enyl-purin-6-amine Openeye Name: 9-allyl-8-(2-furyl)-2-(3-phenylpropylsulfanyl)purin-6-amine CAS Name: 8-(2-furanyl)-2-(3-phenylpropylthio)-9-prop-2-enyl-6-purinamine IUPAC Name: 8-(furan-2-yl)-2-(3-phenylpropylsulfanyl)-9-prop-2-enylpurin-6-amine Traditional Name: [9-allyl-8-(2-furyl)-2-(3-phenylpropylthio)purin-6-yl]amine Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(=NC(=N2)SCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

Isomeric SMILES

C=CCN1C2=C(C(=NC(=N2)SCCCC3=CC=CC=C3)N)N=C1C4=CC=CO4

InChI

InChI=1S/C21H21N5OS/c1-2-12-26-19(16-11-6-13-27-16)23-17-18(22)24-21(25-20(17)26)28-14-7-10-15-8-4-3-5-9-15/h2-6,8-9,11,13H,1,7,10,12,14H2,(H2,22,24,25)