9-cyclopentyl-6-(phenylmethylsulfanyl)purin-2-amine

Systemtic Name: 9-cyclopentyl-6-(phenylmethylsulfanyl)purin-2-amine Openeye Name: 6-benzylsulfanyl-9-cyclopentyl-purin-2-amine CAS Name: 9-cyclopentyl-6-(phenylmethylthio)-2-purinamine IUPAC Name: 6-benzylsulfanyl-9-cyclopentylpurin-2-amine Traditional Name: [6-(benzylthio)-9-cyclopentyl-purin-2-yl]amine Formula: C17H19N5S MolecularWeight: 325.43126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)N

InChI

InChI=1S/C17H19N5S/c18-17-20-15-14(19-11-22(15)13-8-4-5-9-13)16(21-17)23-10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H2,18,20,21)