(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (Z)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (Z)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (Z)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (Z)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (Z)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (Z)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C23H25N7O2 MolecularWeight: 431.4903

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(/C#N)\C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

InChI

InChI=1S/C23H25N7O2/c1-4-10-30-15(2)11-17(16(30)3)12-18(13-24)21(31)32-14-20-27-22(25)29-23(28-20)26-19-8-6-5-7-9-19/h5-9,11-12H,4,10,14H2,1-3H3,(H3,25,26,27,28,29)/b18-12-