N-aminocarbonyl-2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-methyl-butanamide

Systemtic Name: N-aminocarbonyl-2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-methyl-butanamide Openeye Name: N-carbamoyl-2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-methyl-butanamide CAS Name: N-carbamoyl-2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-3-methylbutanamide IUPAC Name: N-carbamoyl-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-3-methylbutanamide Traditional Name: N-carbamoyl-2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-3-methyl-butyramide Formula: C17H21ClN4O4S MolecularWeight: 412.89104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCOC

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCOC

InChI

InChI=1S/C17H21ClN4O4S/c1-9(2)13(14(23)21-16(19)25)27-17-20-12-8-10(18)4-5-11(12)15(24)22(17)6-7-26-3/h4-5,8-9,13H,6-7H2,1-3H3,(H3,19,21,23,25)