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

Systemtic Name: [4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)purin-2-yl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)purin-2-yl]piperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)-2-purinyl]-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)purin-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[9-(4-nitrobenzyl)-6-(phenethylamino)purin-2-yl]piperazino]-(4-pyridyl)methanone Formula: C30H29N9O3 MolecularWeight: 563.60976

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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=NC=C6

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=NC=C6

InChI

InChI=1S/C30H29N9O3/c40-29(24-11-13-31-14-12-24)36-16-18-37(19-17-36)30-34-27(32-15-10-22-4-2-1-3-5-22)26-28(35-30)38(21-33-26)20-23-6-8-25(9-7-23)39(41)42/h1-9,11-14,21H,10,15-20H2,(H,32,34,35)