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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1,5-dimethylpyrrole-2-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1,5-dimethylpyrrole-2-carboxylate CAS Name: 1,5-dimethyl-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 1,5-dimethylpyrrole-2-carboxylate Traditional Name: 1,5-dimethylpyrrole-2-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H18N6O2 MolecularWeight: 338.36382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(N1C)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C17H18N6O2/c1-11-8-9-13(23(11)2)15(24)25-10-14-20-16(18)22-17(21-14)19-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H3,18,19,20,21,22)