3-[2-cyanoethyl-[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(4-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[5-nitro-6-(4-propan-2-ylanilino)-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[(6-cumidino-5-nitro-pyrimidin-4-yl)-(2-cyanoethyl)amino]propionitrile Formula: C19H21N7O2 MolecularWeight: 379.41574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N7O2/c1-14(2)15-5-7-16(8-6-15)24-18-17(26(27)28)19(23-13-22-18)25(11-3-9-20)12-4-10-21/h5-8,13-14H,3-4,11-12H2,1-2H3,(H,22,23,24)