2-azanyl-3-[4-[2,3-bis(oxidanyl)propylamino]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-[4-[2,3-bis(oxidanyl)propylamino]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-amino-3-[4-(2,3-dihydroxypropylamino)pyrimidin-2-yl]benzonitrile CAS Name: 2-amino-3-[4-(2,3-dihydroxypropylamino)-2-pyrimidinyl]benzonitrile IUPAC Name: 2-amino-3-[4-(2,3-dihydroxypropylamino)pyrimidin-2-yl]benzonitrile Traditional Name: 2-amino-3-[4-(glycerylamino)pyrimidin-2-yl]benzonitrile Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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