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

Systemtic Name: (E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(4-propoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(4-propoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(4-propoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(4-propoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-amino-6-anilino-s-triazin-2-yl)-3-(4-propoxyphenyl)acrylonitrile Formula: C21H20N6O MolecularWeight: 372.4231

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C(C#N)C2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C21H20N6O/c1-2-12-28-18-10-8-15(9-11-18)13-16(14-22)19-25-20(23)27-21(26-19)24-17-6-4-3-5-7-17/h3-11,13H,2,12H2,1H3,(H3,23,24,25,26,27)/b16-13+