2-[4-azanyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]ethanenitrile

Systemtic Name: 2-[4-azanyl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]ethanenitrile Openeye Name: 2-[4-amino-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]acetonitrile CAS Name: 2-[4-amino-6-[4-(4-nitrophenyl)-1-piperazinyl]-1,3,5-triazin-2-yl]acetonitrile IUPAC Name: 2-[4-amino-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]acetonitrile Traditional Name: 2-[4-amino-6-[4-(4-nitrophenyl)piperazino]-s-triazin-2-yl]acetonitrile Formula: C15H16N8O2 MolecularWeight: 340.33994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=NC(=N3)CC#N)N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=NC(=N3)CC#N)N

InChI

InChI=1S/C15H16N8O2/c16-6-5-13-18-14(17)20-15(19-13)22-9-7-21(8-10-22)11-1-3-12(4-2-11)23(24)25/h1-4H,5,7-10H2,(H2,17,18,19,20)