N-[[5-[4-(2-azanylpurin-9-yl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chloranyl-benzamide

Systemtic Name: N-[[5-[4-(2-azanylpurin-9-yl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chloranyl-benzamide Openeye Name: N-[[5-[[4-(2-aminopurin-9-yl)-1-piperidyl]sulfonyl]-2-thienyl]methyl]-4-chloro-benzamide CAS Name: N-[[5-[[4-(2-amino-9-purinyl)-1-piperidinyl]sulfonyl]-2-thiophenyl]methyl]-4-chlorobenzamide IUPAC Name: N-[[5-[4-(2-aminopurin-9-yl)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide Traditional Name: N-[[5-[4-(2-aminopurin-9-yl)piperidino]sulfonyl-2-thienyl]methyl]-4-chloro-benzamide Formula: C22H22ClN7O3S2 MolecularWeight: 532.03818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=NC3=CN=C(N=C32)N)S(=O)(=O)C4=CC=C(S4)CNC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCC1N2C=NC3=CN=C(N=C32)N)S(=O)(=O)C4=CC=C(S4)CNC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H22ClN7O3S2/c23-15-3-1-14(2-4-15)21(31)25-11-17-5-6-19(34-17)35(32,33)29-9-7-16(8-10-29)30-13-27-18-12-26-22(24)28-20(18)30/h1-6,12-13,16H,7-11H2,(H,25,31)(H2,24,26,28)