2-azanyl-5-[1-oxidanyl-2-(propan-2-ylamino)ethyl]benzene-1,3-dicarbonitrile

Systemtic Name: 2-azanyl-5-[1-oxidanyl-2-(propan-2-ylamino)ethyl]benzene-1,3-dicarbonitrile Openeye Name: 2-amino-5-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,3-dicarbonitrile CAS Name: 2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-dicarbonitrile IUPAC Name: 2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-dicarbonitrile Traditional Name: 2-amino-5-[1-hydroxy-2-(isopropylamino)ethyl]isophthalonitrile Formula: C13H16N4O MolecularWeight: 244.29234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(C1=CC(=C(C(=C1)C#N)N)C#N)O

Isomeric SMILES

CC(C)NCC(C1=CC(=C(C(=C1)C#N)N)C#N)O

InChI

InChI=1S/C13H16N4O/c1-8(2)17-7-12(18)9-3-10(5-14)13(16)11(4-9)6-15/h3-4,8,12,17-18H,7,16H2,1-2H3