N-(1-adamantylcarbamoyl)-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(6-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(6-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(4-keto-6-nitro-quinazolin-3-yl)acetamide Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CN4C=NC5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CN4C=NC5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5/c27-18(10-25-11-22-17-2-1-15(26(30)31)6-16(17)19(25)28)23-20(29)24-21-7-12-3-13(8-21)5-14(4-12)9-21/h1-2,6,11-14H,3-5,7-10H2,(H2,23,24,27,29)