2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[4-(diethylamino)phenyl]ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[4-(diethylamino)phenyl]ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[4-(diethylamino)phenyl]acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-[4-(diethylamino)phenyl]acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(diethylamino)phenyl]acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-[4-(diethylamino)phenyl]acetamide Formula: C25H31ClN4O2S MolecularWeight: 487.05724

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

InChI

InChI=1S/C25H31ClN4O2S/c1-5-29(6-2)20-10-8-19(9-11-20)27-23(31)16-33-25-28-22-15-18(26)7-12-21(22)24(32)30(25)14-13-17(3)4/h7-12,15,17H,5-6,13-14,16H2,1-4H3,(H,27,31)