N-(3-chlorophenyl)-2-(phenylmethylsulfanyl)-9-propan-2-yl-purin-6-amine

Systemtic Name: N-(3-chlorophenyl)-2-(phenylmethylsulfanyl)-9-propan-2-yl-purin-6-amine Openeye Name: 2-benzylsulfanyl-N-(3-chlorophenyl)-9-isopropyl-purin-6-amine CAS Name: N-(3-chlorophenyl)-2-(phenylmethylthio)-9-propan-2-yl-6-purinamine IUPAC Name: 2-benzylsulfanyl-N-(3-chlorophenyl)-9-propan-2-ylpurin-6-amine Traditional Name: [2-(benzylthio)-9-isopropyl-purin-6-yl]-(3-chlorophenyl)amine Formula: C21H20ClN5S MolecularWeight: 409.935

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)SCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C21H20ClN5S/c1-14(2)27-13-23-18-19(24-17-10-6-9-16(22)11-17)25-21(26-20(18)27)28-12-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3,(H,24,25,26)