2-[[2,3-bis(oxidanyl)propylamino]-pyrimidin-2-yl-amino]benzenecarbonitrile

Systemtic Name: 2-[[2,3-bis(oxidanyl)propylamino]-pyrimidin-2-yl-amino]benzenecarbonitrile Openeye Name: 2-[(2,3-dihydroxypropylamino)-pyrimidin-2-yl-amino]benzonitrile CAS Name: 2-[(2,3-dihydroxypropylamino)-(2-pyrimidinyl)amino]benzonitrile IUPAC Name: 2-[(2,3-dihydroxypropylamino)-pyrimidin-2-ylamino]benzonitrile Traditional Name: 2-[(glycerylamino)-(2-pyrimidyl)amino]benzonitrile Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)N(C2=NC=CC=N2)NCC(CO)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)N(C2=NC=CC=N2)NCC(CO)O

InChI

InChI=1S/C14H15N5O2/c15-8-11-4-1-2-5-13(11)19(18-9-12(21)10-20)14-16-6-3-7-17-14/h1-7,12,18,20-21H,9-10H2