sodium 2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-4-oxidanylidene-1H-quinazoline-6-sulfonate

Systemtic Name: sodium 2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-4-oxidanylidene-1H-quinazoline-6-sulfonate Openeye Name: sodium 2-[7-(diethylamino)-2-oxo-chromen-3-yl]-4-oxo-1H-quinazoline-6-sulfonate CAS Name: sodium 2-[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]-4-oxo-1H-quinazoline-6-sulfonate IUPAC Name: sodium 2-[7-(diethylamino)-2-oxochromen-3-yl]-4-oxo-1H-quinazoline-6-sulfonate Traditional Name: sodium 2-[7-(diethylamino)-2-keto-chromen-3-yl]-4-keto-1H-quinazoline-6-sulfonate Formula: C21H18N3NaO6S MolecularWeight: 463.43889

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H19N3O6S.Na/c1-3-24(4-2)13-6-5-12-9-16(21(26)30-18(12)10-13)19-22-17-8-7-14(31(27,28)29)11-15(17)20(25)23-19;/h5-11H,3-4H2,1-2H3,(H,22,23,25)(H,27,28,29);/q;+1/p-1