N-(1-adamantylcarbamoyl)-2-[6,8-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[6,8-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(6,8-dichloro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(6,8-dichloro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(6,8-dichloro-4-keto-quinazolin-3-yl)acetamide Formula: C21H22Cl2N4O3 MolecularWeight: 449.33038

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CN4C=NC5=C(C=C(C=C5C4=O)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CN4C=NC5=C(C=C(C=C5C4=O)Cl)Cl

InChI

InChI=1S/C21H22Cl2N4O3/c22-14-4-15-18(16(23)5-14)24-10-27(19(15)29)9-17(28)25-20(30)26-21-6-11-1-12(7-21)3-13(2-11)8-21/h4-5,10-13H,1-3,6-9H2,(H2,25,26,28,30)