4-(2H-benzotriazol-5-ylamino)-2-[(3-sulfamoylphenyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 4-(2H-benzotriazol-5-ylamino)-2-[(3-sulfamoylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 4-(2H-benzotriazol-5-ylamino)-2-(3-sulfamoylanilino)pyrimidine-5-carboxamide CAS Name: 4-(2H-benzotriazol-5-ylamino)-2-(3-sulfamoylanilino)-5-pyrimidinecarboxamide IUPAC Name: 4-(2H-benzotriazol-5-ylamino)-2-(3-sulfamoylanilino)pyrimidine-5-carboxamide Traditional Name: 4-(2H-benzotriazol-5-ylamino)-2-(3-sulfamoylanilino)pyrimidine-5-carboxamide Formula: C17H15N9O3S MolecularWeight: 425.4245

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=C(C(=N2)NC3=CC4=NNN=C4C=C3)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=C(C(=N2)NC3=CC4=NNN=C4C=C3)C(=O)N

InChI

InChI=1S/C17H15N9O3S/c18-15(27)12-8-20-17(22-9-2-1-3-11(6-9)30(19,28)29)23-16(12)21-10-4-5-13-14(7-10)25-26-24-13/h1-8H,(H2,18,27)(H2,19,28,29)(H,24,25,26)(H2,20,21,22,23)