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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C2=NC=CC(=N2)NCCCO)N)C#N

Isomeric SMILES

C1=CC(=C(C(=C1)C2=NC=CC(=N2)NCCCO)N)C#N

InChI

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