4-[(phenylmethyl)amino]-2-pyridin-3-yl-quinazoline-6-sulfonamide

Systemtic Name: 4-[(phenylmethyl)amino]-2-pyridin-3-yl-quinazoline-6-sulfonamide Openeye Name: 4-(benzylamino)-2-(3-pyridyl)quinazoline-6-sulfonamide CAS Name: 4-[(phenylmethyl)amino]-2-(3-pyridinyl)-6-quinazolinesulfonamide IUPAC Name: 4-(benzylamino)-2-pyridin-3-ylquinazoline-6-sulfonamide Traditional Name: 4-(benzylamino)-2-(3-pyridyl)quinazoline-6-sulfonamide Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC3=C2C=C(C=C3)S(=O)(=O)N)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=C2C=C(C=C3)S(=O)(=O)N)C4=CN=CC=C4

InChI

InChI=1S/C20H17N5O2S/c21-28(26,27)16-8-9-18-17(11-16)20(23-12-14-5-2-1-3-6-14)25-19(24-18)15-7-4-10-22-13-15/h1-11,13H,12H2,(H2,21,26,27)(H,23,24,25)