2-azanyl-3-pyrimidin-2-yl-4-(1-pyrrolidin-1-ylethylamino)benzenecarbonitrile hydrochloride

Systemtic Name: 2-azanyl-3-pyrimidin-2-yl-4-(1-pyrrolidin-1-ylethylamino)benzenecarbonitrile hydrochloride Openeye Name: 2-amino-3-pyrimidin-2-yl-4-(1-pyrrolidin-1-ylethylamino)benzonitrile hydrochloride CAS Name: 2-amino-3-(2-pyrimidinyl)-4-[1-(1-pyrrolidinyl)ethylamino]benzonitrile hydrochloride IUPAC Name: 2-amino-3-pyrimidin-2-yl-4-(1-pyrrolidin-1-ylethylamino)benzonitrile hydrochloride Traditional Name: 2-amino-3-(2-pyrimidyl)-4-(1-pyrrolidinoethylamino)benzonitrile hydrochloride Formula: C17H21ClN6 MolecularWeight: 344.84184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=C(C(=C(C=C1)C#N)N)C2=NC=CC=N2)N3CCCC3.Cl

Isomeric SMILES

CC(NC1=C(C(=C(C=C1)C#N)N)C2=NC=CC=N2)N3CCCC3.Cl

InChI

InChI=1S/C17H20N6.ClH/c1-12(23-9-2-3-10-23)22-14-6-5-13(11-18)16(19)15(14)17-20-7-4-8-21-17;/h4-8,12,22H,2-3,9-10,19H2,1H3;1H