2-azanyl-4-[2,3-bis(oxidanyl)propylamino]-3-(1,3,5-triazin-2-yl)benzenecarbonitrile

Systemtic Name: 2-azanyl-4-[2,3-bis(oxidanyl)propylamino]-3-(1,3,5-triazin-2-yl)benzenecarbonitrile Openeye Name: 2-amino-4-(2,3-dihydroxypropylamino)-3-(1,3,5-triazin-2-yl)benzonitrile CAS Name: 2-amino-4-(2,3-dihydroxypropylamino)-3-(1,3,5-triazin-2-yl)benzonitrile IUPAC Name: 2-amino-4-(2,3-dihydroxypropylamino)-3-(1,3,5-triazin-2-yl)benzonitrile Traditional Name: 2-amino-4-(glycerylamino)-3-(s-triazin-2-yl)benzonitrile Formula: C13H14N6O2 MolecularWeight: 286.28926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C#N)N)C2=NC=NC=N2)NCC(CO)O

Isomeric SMILES

C1=CC(=C(C(=C1C#N)N)C2=NC=NC=N2)NCC(CO)O

InChI

InChI=1S/C13H14N6O2/c14-3-8-1-2-10(17-4-9(21)5-20)11(12(8)15)13-18-6-16-7-19-13/h1-2,6-7,9,17,20-21H,4-5,15H2