2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1R)-1-cyclopropylethyl]ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1R)-1-cyclopropylethyl]ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-[(1R)-1-cyclopropylethyl]acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1R)-1-cyclopropylethyl]acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-[(1R)-1-cyclopropylethyl]acetamide Formula: C20H26ClN3O2S MolecularWeight: 407.95734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(C)C3CC3

Isomeric SMILES

C[C@H](C1CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

InChI

InChI=1S/C20H26ClN3O2S/c1-12(2)8-9-24-19(26)16-7-6-15(21)10-17(16)23-20(24)27-11-18(25)22-13(3)14-4-5-14/h6-7,10,12-14H,4-5,8-9,11H2,1-3H3,(H,22,25)/t13-/m1/s1