N-[6,7-dimethoxy-4-oxidanylidene-2-(thiophen-2-ylmethyl)quinazolin-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[6,7-dimethoxy-4-oxidanylidene-2-(thiophen-2-ylmethyl)quinazolin-3-yl]adamantane-1-carboxamide Openeye Name: N-[6,7-dimethoxy-4-oxo-2-(2-thienylmethyl)quinazolin-3-yl]adamantane-1-carboxamide CAS Name: N-[6,7-dimethoxy-4-oxo-2-(thiophen-2-ylmethyl)-3-quinazolinyl]-1-adamantanecarboxamide IUPAC Name: N-[6,7-dimethoxy-4-oxo-2-(thiophen-2-ylmethyl)quinazolin-3-yl]adamantane-1-carboxamide Traditional Name: N-[4-keto-6,7-dimethoxy-2-(2-thenyl)quinazolin-3-yl]adamantane-1-carboxamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CC3=CC=CS3)NC(=O)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CC3=CC=CS3)NC(=O)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C26H29N3O4S/c1-32-21-10-19-20(11-22(21)33-2)27-23(9-18-4-3-5-34-18)29(24(19)30)28-25(31)26-12-15-6-16(13-26)8-17(7-15)14-26/h3-5,10-11,15-17H,6-9,12-14H2,1-2H3,(H,28,31)