(E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(7-methoxy-2H-chromen-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(7-methoxy-2H-chromen-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(7-methoxy-2H-chromen-3-yl)prop-2-enenitrile CAS Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(7-methoxy-2H-1-benzopyran-3-yl)-2-propenenitrile IUPAC Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(7-methoxy-2H-chromen-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-amino-6-anilino-s-triazin-2-yl)-3-(7-methoxy-2H-chromen-3-yl)acrylonitrile Formula: C22H18N6O2 MolecularWeight: 398.41732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(CO2)C=C(C#N)C3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(CO2)/C=C(\C#N)/C3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H18N6O2/c1-29-18-8-7-15-9-14(13-30-19(15)11-18)10-16(12-23)20-26-21(24)28-22(27-20)25-17-5-3-2-4-6-17/h2-11H,13H2,1H3,(H3,24,25,26,27,28)/b16-10+