3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide

Systemtic Name: 3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide Openeye Name: 3-[[8-(3-pyridyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[8-(3-pyridinyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide IUPAC Name: 3-[(8-pyridin-3-yl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide Traditional Name: 3-[[8-(3-pyridyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide Formula: C21H17N5O2S2 MolecularWeight: 435.52198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(S2)C3=CN=CC=C3)C4=NC(=NC=C41)NC5=CC(=CC=C5)S(=O)(=O)N

Isomeric SMILES

C1CC2=C(C=C(S2)C3=CN=CC=C3)C4=NC(=NC=C41)NC5=CC(=CC=C5)S(=O)(=O)N

InChI

InChI=1S/C21H17N5O2S2/c22-30(27,28)16-5-1-4-15(9-16)25-21-24-12-14-6-7-18-17(20(14)26-21)10-19(29-18)13-3-2-8-23-11-13/h1-5,8-12H,6-7H2,(H2,22,27,28)(H,24,25,26)