[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C18H15N7O2S MolecularWeight: 393.4224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=NC(=NC(=N4)N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=NC(=NC(=N4)N)N

InChI

InChI=1S/C18H15N7O2S/c19-17-21-15(22-18(20)23-17)10-27-16(26)13-9-12(14-7-4-8-28-14)24-25(13)11-5-2-1-3-6-11/h1-9H,10H2,(H4,19,20,21,22,23)