3-cyclopentyl-1-[4-[9-[(4-nitrophenyl)methyl]-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[4-[9-[(4-nitrophenyl)methyl]-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[6-(allylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]piperazin-1-yl]-3-cyclopentyl-propan-1-one CAS Name: 3-cyclopentyl-1-[4-[9-[(4-nitrophenyl)methyl]-6-(prop-2-enylamino)-2-purinyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[4-[9-[(4-nitrophenyl)methyl]-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[6-(allylamino)-9-(4-nitrobenzyl)purin-2-yl]piperazino]-3-cyclopentyl-propan-1-one Formula: C27H34N8O3 MolecularWeight: 518.61066

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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)CCC5CCCC5

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C(=O)CCC5CCCC5

InChI

InChI=1S/C27H34N8O3/c1-2-13-28-25-24-26(34(19-29-24)18-21-7-10-22(11-8-21)35(37)38)31-27(30-25)33-16-14-32(15-17-33)23(36)12-9-20-5-3-4-6-20/h2,7-8,10-11,19-20H,1,3-6,9,12-18H2,(H,28,30,31)