(2R)-4-[7-chloranyl-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-4-[7-chloranyl-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2R)-4-[7-chloro-3-[(2R)-2-hydroxypropyl]-4-oxo-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2R)-4-[[7-chloro-3-[(2R)-2-hydroxypropyl]-4-oxo-2-quinazolinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2R)-4-[7-chloro-3-[(2R)-2-hydroxypropyl]-4-oxoquinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2R)-2-acetimidoyl-4-[[7-chloro-3-[(2R)-2-hydroxypropyl]-4-keto-quinazolin-2-yl]thio]-3-keto-butyronitrile Formula: C17H17ClN4O3S MolecularWeight: 392.85988

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C(C#N)C(=N)C)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)[C@@H](C#N)C(=N)C)O

InChI

InChI=1S/C17H17ClN4O3S/c1-9(23)7-22-16(25)12-4-3-11(18)5-14(12)21-17(22)26-8-15(24)13(6-19)10(2)20/h3-5,9,13,20,23H,7-8H2,1-2H3/t9-,13+/m1/s1