[(3R)-3-cyano-4-oxidanylidene-5-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-pent-1-en-2-yl]azanium

Systemtic Name: [(3R)-3-cyano-4-oxidanylidene-5-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-pent-1-en-2-yl]azanium Openeye Name: [(2R)-2-cyano-4-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-1-methylene-3-oxo-butyl]ammonium CAS Name: [(3R)-3-cyano-5-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3R)-3-cyano-5-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1R)-1-cyano-3-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-2-keto-propyl]vinylammonium Formula: C17H19N4O3S+ MolecularWeight: 359.42276

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCO)[NH3+]

Isomeric SMILES

C=C([C@H](C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCO)[NH3+]

InChI

InChI=1S/C17H18N4O3S/c1-11(19)13(9-18)15(23)10-25-17-20-14-6-3-2-5-12(14)16(24)21(17)7-4-8-22/h2-3,5-6,13,22H,1,4,7-8,10,19H2/p+1/t13-/m0/s1