[4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)purin-2-yl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)purin-2-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)purin-2-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)-2-purinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)purin-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[9-(4-nitrobenzyl)-6-(phenethylamino)purin-2-yl]piperazino]-(2-thienyl)methanone Formula: C29H28N8O3S MolecularWeight: 568.64942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)C6=CC=CS6

InChI

InChI=1S/C29H28N8O3S/c38-28(24-7-4-18-41-24)34-14-16-35(17-15-34)29-32-26(30-13-12-21-5-2-1-3-6-21)25-27(33-29)36(20-31-25)19-22-8-10-23(11-9-22)37(39)40/h1-11,18,20H,12-17,19H2,(H,30,32,33)