2-[[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[6-[(4-butylphenyl)amino]-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[6-(4-butylanilino)-5-nitro-4-pyrimidinyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[6-(4-butylanilino)-5-nitropyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H19N7O2/c1-2-3-4-14-5-7-15(8-6-14)23-17-16(25(26)27)18(22-13-21-17)24(11-9-19)12-10-20/h5-8,13H,2-4,11-12H2,1H3,(H,21,22,23)