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

Systemtic Name: (E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(3-bromo-5-methoxy-4-propoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-amino-6-anilino-s-triazin-2-yl)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)acrylonitrile Formula: C22H21BrN6O2 MolecularWeight: 481.34514

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=C(C#N)C2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=C(\C#N)/C2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

InChI

InChI=1S/C22H21BrN6O2/c1-3-9-31-19-17(23)11-14(12-18(19)30-2)10-15(13-24)20-27-21(25)29-22(28-20)26-16-7-5-4-6-8-16/h4-8,10-12H,3,9H2,1-2H3,(H3,25,26,27,28,29)/b15-10+