(E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-amino-6-anilino-s-triazin-2-yl)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)acrylonitrile Formula: C21H19BrN6O2 MolecularWeight: 467.31856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C(C#N)C2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C(\C#N)/C2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

InChI

InChI=1S/C21H19BrN6O2/c1-3-30-18-16(22)10-13(11-17(18)29-2)9-14(12-23)19-26-20(24)28-21(27-19)25-15-7-5-4-6-8-15/h4-11H,3H2,1-2H3,(H3,24,25,26,27,28)/b14-9+