(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4,5-bis(chloranyl)-1-methyl-pyrrole-2-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4,5-bis(chloranyl)-1-methyl-pyrrole-2-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4,5-dichloro-1-methyl-pyrrole-2-carboxylate CAS Name: 4,5-dichloro-1-methyl-2-pyrrolecarboxylic 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 4,5-dichloro-1-methylpyrrole-2-carboxylate Traditional Name: 4,5-dichloro-1-methyl-pyrrole-2-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C16H14Cl2N6O2 MolecularWeight: 393.22736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1Cl)Cl)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CN1C(=CC(=C1Cl)Cl)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C16H14Cl2N6O2/c1-24-11(7-10(17)13(24)18)14(25)26-8-12-21-15(19)23-16(22-12)20-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H3,19,20,21,22,23)