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

Systemtic Name: [4-[9-[(4-nitrophenyl)methyl]-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[6-(allylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[9-[(4-nitrophenyl)methyl]-6-(prop-2-enylamino)-2-purinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[9-[(4-nitrophenyl)methyl]-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[6-(allylamino)-9-(4-nitrobenzyl)purin-2-yl]piperazino]-(2-thienyl)methanone Formula: C24H24N8O3S MolecularWeight: 504.56416

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C24H24N8O3S/c1-2-9-25-21-20-22(31(16-26-20)15-17-5-7-18(8-6-17)32(34)35)28-24(27-21)30-12-10-29(11-13-30)23(33)19-4-3-14-36-19/h2-8,14,16H,1,9-13,15H2,(H,25,27,28)