2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methoxy-5-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(2-methoxy-5-morpholinosulfonyl-phenyl)acetamide Formula: C26H31ClN4O6S2 MolecularWeight: 595.13054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC

InChI

InChI=1S/C26H31ClN4O6S2/c1-17(2)8-9-31-25(33)20-6-4-18(27)14-21(20)29-26(31)38-16-24(32)28-22-15-19(5-7-23(22)36-3)39(34,35)30-10-12-37-13-11-30/h4-7,14-15,17H,8-13,16H2,1-3H3,(H,28,32)