2-azanyl-4-(3-oxidanylpropylamino)-3-pyrimidin-2-yl-benzenecarbonitrile

Systemtic Name: 2-azanyl-4-(3-oxidanylpropylamino)-3-pyrimidin-2-yl-benzenecarbonitrile Openeye Name: 2-amino-4-(3-hydroxypropylamino)-3-pyrimidin-2-yl-benzonitrile CAS Name: 2-amino-4-(3-hydroxypropylamino)-3-(2-pyrimidinyl)benzonitrile IUPAC Name: 2-amino-4-(3-hydroxypropylamino)-3-pyrimidin-2-ylbenzonitrile Traditional Name: 2-amino-4-(3-hydroxypropylamino)-3-(2-pyrimidyl)benzonitrile Formula: C14H15N5O MolecularWeight: 269.3018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)C2=C(C=CC(=C2N)C#N)NCCCO

Isomeric SMILES

C1=CN=C(N=C1)C2=C(C=CC(=C2N)C#N)NCCCO

InChI

InChI=1S/C14H15N5O/c15-9-10-3-4-11(17-7-2-8-20)12(13(10)16)14-18-5-1-6-19-14/h1,3-6,17,20H,2,7-8,16H2