N-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-methylsulfanyl-benzamide

Systemtic Name: N-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-methylsulfanyl-benzamide Openeye Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-methylsulfanyl-benzamide CAS Name: N-[2-[(2-chloro-9-cyclopentyl-6-purinyl)amino]ethyl]-4-(methylthio)benzamide IUPAC Name: N-[2-[(2-chloro-9-cyclopentylpurin-6-yl)amino]ethyl]-4-methylsulfanylbenzamide Traditional Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-(methylthio)benzamide Formula: C20H23ClN6OS MolecularWeight: 430.95422

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)Cl

InChI

InChI=1S/C20H23ClN6OS/c1-29-15-8-6-13(7-9-15)19(28)23-11-10-22-17-16-18(26-20(21)25-17)27(12-24-16)14-4-2-3-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,23,28)(H,22,25,26)