ethyl 5-[(E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-2-cyano-ethenyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-2-cyano-ethenyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-2-cyano-vinyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-2-cyanoethenyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-2-cyanoethenyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-(4-amino-6-anilino-s-triazin-2-yl)-2-cyano-vinyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H21N7O2 MolecularWeight: 403.43714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C=C(C#N)C2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)/C=C(\C#N)/C2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

InChI

InChI=1S/C21H21N7O2/c1-4-30-19(29)17-12(2)16(24-13(17)3)10-14(11-22)18-26-20(23)28-21(27-18)25-15-8-6-5-7-9-15/h5-10,24H,4H2,1-3H3,(H3,23,25,26,27,28)/b14-10+