[(3S)-5-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-cyano-4-oxidanylidene-pentan-2-ylidene]azanium

Systemtic Name: [(3S)-5-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-cyano-4-oxidanylidene-pentan-2-ylidene]azanium Openeye Name: [(2S)-4-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-2-cyano-1-methyl-3-oxo-butylidene]ammonium CAS Name: [(3S)-5-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-3-cyano-4-oxopentan-2-ylidene]ammonium IUPAC Name: [(3S)-5-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-3-cyano-4-oxopentan-2-ylidene]azanium Traditional Name: [(2S)-4-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]-2-cyano-3-keto-1-methyl-butylidene]ammonium Formula: C18H20ClN4O2S+ MolecularWeight: 391.895

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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(=[NH2+])C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)[C@H](C#N)C(=[NH2+])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/p+1/t14-/m1/s1