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

Systemtic Name: (E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(2-prop-2-ynoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-prop-2-ynoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-prop-2-ynoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(2-prop-2-ynoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-amino-6-anilino-s-triazin-2-yl)-3-(2-propargyloxyphenyl)acrylonitrile Formula: C21H16N6O MolecularWeight: 368.39134

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1C=C(C#N)C2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

C#CCOC1=CC=CC=C1/C=C(\C#N)/C2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C21H16N6O/c1-2-12-28-18-11-7-6-8-15(18)13-16(14-22)19-25-20(23)27-21(26-19)24-17-9-4-3-5-10-17/h1,3-11,13H,12H2,(H3,23,24,25,26,27)/b16-13+