N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-(8-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(8-methyl-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-(4-keto-8-methyl-quinazolin-3-yl)butyramide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NCC(C3=CC=CS3)N(C)C

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NCC(C3=CC=CS3)N(C)C

InChI

InChI=1S/C21H26N4O2S/c1-15-7-4-8-16-20(15)23-14-25(21(16)27)11-5-10-19(26)22-13-17(24(2)3)18-9-6-12-28-18/h4,6-9,12,14,17H,5,10-11,13H2,1-3H3,(H,22,26)