2-chloranyl-N-(4-methylsulfonylphenyl)-9-(phenylmethyl)purin-6-amine

Systemtic Name: 2-chloranyl-N-(4-methylsulfonylphenyl)-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-chloro-N-(4-methylsulfonylphenyl)purin-6-amine CAS Name: 2-chloro-N-(4-methylsulfonylphenyl)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-chloro-N-(4-methylsulfonylphenyl)purin-6-amine Traditional Name: (9-benzyl-2-chloro-purin-6-yl)-(4-mesylphenyl)amine Formula: C19H16ClN5O2S MolecularWeight: 413.88064

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)Cl

InChI

InChI=1S/C19H16ClN5O2S/c1-28(26,27)15-9-7-14(8-10-15)22-17-16-18(24-19(20)23-17)25(12-21-16)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,23,24)