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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)N(CCC#N)CCC#N)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)N(CCC#N)CCC#N)N)C

InChI

InChI=1S/C18H21N7/c1-13-9-14(2)11-15(10-13)24-17-16(21)18(23-12-22-17)25(7-3-5-19)8-4-6-20/h9-12H,3-4,7-8,21H2,1-2H3,(H,22,23,24)