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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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