3-[2-cyanoethyl-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)amino]propionitrile Formula: C18H17N7O2 MolecularWeight: 363.37328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N7O2/c19-8-3-10-23(11-4-9-20)17-16(25(26)27)18(22-13-21-17)24-12-7-14-5-1-2-6-15(14)24/h1-2,5-6,13H,3-4,7,10-12H2