(2R)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide

Systemtic Name: (2R)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide Openeye Name: (2R)-2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide CAS Name: (2R)-2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-[(cyclopropylamino)-oxomethyl]propanamide IUPAC Name: (2R)-2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide Traditional Name: (2R)-2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(cyclopropylcarbamoyl)propionamide Formula: C20H25ClN4O3S MolecularWeight: 436.9555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC(=O)NC3CC3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

InChI

InChI=1S/C20H25ClN4O3S/c1-11(2)8-9-25-18(27)15-7-4-13(21)10-16(15)23-20(25)29-12(3)17(26)24-19(28)22-14-5-6-14/h4,7,10-12,14H,5-6,8-9H2,1-3H3,(H2,22,24,26,28)/t12-/m1/s1