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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-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-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C

InChI

InChI=1S/C18H18N6O3/c1-11(25)12-8-14(24(2)9-12)16(26)27-10-15-21-17(19)23-18(22-15)20-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H3,19,20,21,22,23)