N-[(2S)-1-(1H-indazol-6-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[(2S)-1-(1H-indazol-6-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(1H-indazol-6-ylamino)-2-oxo-ethyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[(1S)-2-(1H-indazol-6-ylamino)-2-keto-1-methylol-ethyl]-3H-benzimidazole-5-carboxamide Formula: C18H16N6O3 MolecularWeight: 364.35804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC(CO)C(=O)NC3=CC4=C(C=C3)C=NN4)NC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)N[C@@H](CO)C(=O)NC3=CC4=C(C=C3)C=NN4)NC=N2

InChI

InChI=1S/C18H16N6O3/c25-8-16(18(27)22-12-3-1-11-7-21-24-14(11)6-12)23-17(26)10-2-4-13-15(5-10)20-9-19-13/h1-7,9,16,25H,8H2,(H,19,20)(H,21,24)(H,22,27)(H,23,26)/t16-/m0/s1