(2S)-4-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-4-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2S)-4-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]-3-keto-butyronitrile Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O2S/c1-10(2)8-23-17(25)13-6-12(19)4-5-15(13)22-18(23)26-9-16(24)14(7-20)11(3)21/h4-6,10,14,21H,8-9H2,1-3H3/t14-/m1/s1