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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-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 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C17H17N7O2 MolecularWeight: 351.36258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC3=NC(=NC(=N3)N)N)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC3=NC(=NC(=N3)N)N)C4=CC=CC=C4

InChI

InChI=1S/C17H17N7O2/c18-16-20-14(21-17(19)22-16)9-26-15(25)13-8-12(10-6-7-10)23-24(13)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H4,18,19,20,21,22)