6-[2-[[5-nitro-6-[(phenylmethyl)amino]pyridin-2-yl]amino]ethylamino]pyridine-3-carbonitrile

Systemtic Name: 6-[2-[[5-nitro-6-[(phenylmethyl)amino]pyridin-2-yl]amino]ethylamino]pyridine-3-carbonitrile Openeye Name: 6-[2-[[6-(benzylamino)-5-nitro-2-pyridyl]amino]ethylamino]pyridine-3-carbonitrile CAS Name: 6-[2-[[5-nitro-6-[(phenylmethyl)amino]-2-pyridinyl]amino]ethylamino]-3-pyridinecarbonitrile IUPAC Name: 6-[2-[[6-(benzylamino)-5-nitropyridin-2-yl]amino]ethylamino]pyridine-3-carbonitrile Traditional Name: 6-[2-[[6-(benzylamino)-5-nitro-2-pyridyl]amino]ethylamino]nicotinonitrile Formula: C20H19N7O2 MolecularWeight: 389.41056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=CC(=N2)NCCNC3=NC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=CC(=N2)NCCNC3=NC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H19N7O2/c21-12-16-6-8-18(24-14-16)22-10-11-23-19-9-7-17(27(28)29)20(26-19)25-13-15-4-2-1-3-5-15/h1-9,14H,10-11,13H2,(H,22,24)(H2,23,25,26)