5-oxidanylidene-2-phenylazanyl-N-(pyridin-3-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

Systemtic Name: 5-oxidanylidene-2-phenylazanyl-N-(pyridin-3-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide Openeye Name: 2-anilino-5-oxo-N-(3-pyridylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide CAS Name: 2-anilino-5-oxo-N-(3-pyridinylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide IUPAC Name: 2-anilino-5-oxo-N-(pyridin-3-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide Traditional Name: 2-anilino-5-keto-N-(3-pyridylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide Formula: C22H16N6O2S MolecularWeight: 428.46644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN3C(=O)C4=C(C=C(C=C4)C(=O)NCC5=CN=CC=C5)N=C3S2

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN3C(=O)C4=C(C=C(C=C4)C(=O)NCC5=CN=CC=C5)N=C3S2

InChI

InChI=1S/C22H16N6O2S/c29-19(24-13-14-5-4-10-23-12-14)15-8-9-17-18(11-15)26-22-28(20(17)30)27-21(31-22)25-16-6-2-1-3-7-16/h1-12H,13H2,(H,24,29)(H,25,27)