3-[[5-azanyl-6-[(2-ethylphenyl)amino]pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[[5-azanyl-6-[(2-ethylphenyl)amino]pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[[5-amino-6-(2-ethylanilino)-4-pyrimidinyl]-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propionitrile Formula: C18H21N7 MolecularWeight: 335.40624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)N(CCC#N)CCC#N)N

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)N(CCC#N)CCC#N)N

InChI

InChI=1S/C18H21N7/c1-2-14-7-3-4-8-15(14)24-17-16(21)18(23-13-22-17)25(11-5-9-19)12-6-10-20/h3-4,7-8,13H,2,5-6,11-12,21H2,1H3,(H,22,23,24)