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

Systemtic Name: 3-[[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[[5-amino-6-(3-methoxyanilino)-4-pyrimidinyl]-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[5-amino-6-(m-anisidino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propionitrile Formula: C17H19N7O MolecularWeight: 337.37906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)N(CCC#N)CCC#N)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)N(CCC#N)CCC#N)N

InChI

InChI=1S/C17H19N7O/c1-25-14-6-2-5-13(11-14)23-16-15(20)17(22-12-21-16)24(9-3-7-18)10-4-8-19/h2,5-6,11-12H,3-4,9-10,20H2,1H3,(H,21,22,23)