9-methyl-8-(2-methylfuran-3-yl)-2-(3-phenylpropylsulfanyl)purin-6-amine

Systemtic Name: 9-methyl-8-(2-methylfuran-3-yl)-2-(3-phenylpropylsulfanyl)purin-6-amine Openeye Name: 9-methyl-8-(2-methyl-3-furyl)-2-(3-phenylpropylsulfanyl)purin-6-amine CAS Name: 9-methyl-8-(2-methyl-3-furanyl)-2-(3-phenylpropylthio)-6-purinamine IUPAC Name: 9-methyl-8-(2-methylfuran-3-yl)-2-(3-phenylpropylsulfanyl)purin-6-amine Traditional Name: [9-methyl-8-(2-methyl-3-furyl)-2-(3-phenylpropylthio)purin-6-yl]amine Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NC3=C(N2C)N=C(N=C3N)SCCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C2=NC3=C(N2C)N=C(N=C3N)SCCCC4=CC=CC=C4

InChI

InChI=1S/C20H21N5OS/c1-13-15(10-11-26-13)18-22-16-17(21)23-20(24-19(16)25(18)2)27-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11H,6,9,12H2,1-2H3,(H2,21,23,24)