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

Systemtic Name: [4-[9-[(4-nitrophenyl)methyl]-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[6-(allylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]piperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-[9-[(4-nitrophenyl)methyl]-6-(prop-2-enylamino)-2-purinyl]-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[9-[(4-nitrophenyl)methyl]-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[6-(allylamino)-9-(4-nitrobenzyl)purin-2-yl]piperazino]-(4-pyridyl)methanone Formula: C25H25N9O3 MolecularWeight: 499.5245

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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=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H25N9O3/c1-2-9-27-22-21-23(33(17-28-21)16-18-3-5-20(6-4-18)34(36)37)30-25(29-22)32-14-12-31(13-15-32)24(35)19-7-10-26-11-8-19/h2-8,10-11,17H,1,9,12-16H2,(H,27,29,30)