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

Systemtic Name: (2R)-N-aminocarbonyl-2-[7-chloranyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-3-methyl-butanamide Openeye Name: (2R)-N-carbamoyl-2-[7-chloro-3-[(2S)-2-hydroxypropyl]-4-oxo-quinazolin-2-yl]sulfanyl-3-methyl-butanamide CAS Name: (2R)-N-carbamoyl-2-[[7-chloro-3-[(2S)-2-hydroxypropyl]-4-oxo-2-quinazolinyl]thio]-3-methylbutanamide IUPAC Name: (2R)-N-carbamoyl-2-[7-chloro-3-[(2S)-2-hydroxypropyl]-4-oxoquinazolin-2-yl]sulfanyl-3-methylbutanamide Traditional Name: (2R)-N-carbamoyl-2-[[7-chloro-3-[(2S)-2-hydroxypropyl]-4-keto-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)N1CC(C)O

Isomeric SMILES

C[C@@H](CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1S[C@H](C(C)C)C(=O)NC(=O)N)O

InChI

InChI=1S/C17H21ClN4O4S/c1-8(2)13(14(24)21-16(19)26)27-17-20-12-6-10(18)4-5-11(12)15(25)22(17)7-9(3)23/h4-6,8-9,13,23H,7H2,1-3H3,(H3,19,21,24,26)/t9-,13+/m0/s1