2-[2-[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[(3S)-3-cyano-4-imino-2-oxo-pentyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[[(3S)-3-cyano-4-imino-2-oxopentyl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[(3S)-3-cyano-4-imino-2-oxopentyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[[(3S)-3-cyano-4-imino-2-keto-pentyl]thio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C22H30N5O2S+ MolecularWeight: 428.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(C#N)C(=N)C)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)[C@H](C#N)C(=N)C)C(C)C

InChI

InChI=1S/C22H29N5O2S/c1-14(2)26(15(3)4)10-11-27-21(29)17-8-6-7-9-19(17)25-22(27)30-13-20(28)18(12-23)16(5)24/h6-9,14-15,18,24H,10-11,13H2,1-5H3/p+1/t18-/m1/s1