(E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-amino-6-anilino-s-triazin-2-yl)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)acrylonitrile Formula: C22H21ClN6O2 MolecularWeight: 436.89414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C=C(C#N)C2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)/C=C(\C#N)/C2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

InChI

InChI=1S/C22H21ClN6O2/c1-13(2)31-19-17(23)10-14(11-18(19)30-3)9-15(12-24)20-27-21(25)29-22(28-20)26-16-7-5-4-6-8-16/h4-11,13H,1-3H3,(H3,25,26,27,28,29)/b15-9+