[4-[(2-ethoxycarbonylquinazolin-4-yl)amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide

Systemtic Name: [4-[(2-ethoxycarbonylquinazolin-4-yl)amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[(2-ethoxycarbonylquinazolin-4-yl)amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[(2-ethoxycarbonyl-4-quinazolinyl)amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[(2-ethoxycarbonylquinazolin-4-yl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[(2-carbethoxyquinazolin-4-yl)amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C21H17N6O4S- MolecularWeight: 449.46248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4

InChI

InChI=1S/C21H17N6O4S/c1-2-31-20(28)19-25-17-7-4-3-6-16(17)18(26-19)24-14-8-10-15(11-9-14)32(29,30)27-21-22-12-5-13-23-21/h3-13H,2H2,1H3,(H-,22,23,24,25,26,27)/q-1