(E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(7-bromanyl-1,3-benzodioxol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(7-bromanyl-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(7-bromo-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(7-bromo-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-amino-6-anilino-s-triazin-2-yl)-3-(7-bromo-1,3-benzodioxol-5-yl)acrylonitrile Formula: C19H13BrN6O2 MolecularWeight: 437.24952

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=C(C#N)C3=NC(=NC(=N3)NC4=CC=CC=C4)N)Br

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C(\C#N)/C3=NC(=NC(=N3)NC4=CC=CC=C4)N)Br

InChI

InChI=1S/C19H13BrN6O2/c20-14-7-11(8-15-16(14)28-10-27-15)6-12(9-21)17-24-18(22)26-19(25-17)23-13-4-2-1-3-5-13/h1-8H,10H2,(H3,22,23,24,25,26)/b12-6+