3-[2-[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: dimethyl-[3-[2-[(1R)-1-methyl-2-oxo-2-ureido-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl]ammonium CAS Name: 3-[2-[[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[4-keto-2-[[(1R)-2-keto-1-methyl-2-ureido-ethyl]thio]quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C17H24N5O3S+ MolecularWeight: 378.46916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NC2=CC=CC=C2C(=O)N1CCC[NH+](C)C

Isomeric SMILES

C[C@H](C(=O)NC(=O)N)SC1=NC2=CC=CC=C2C(=O)N1CCC[NH+](C)C

InChI

InChI=1S/C17H23N5O3S/c1-11(14(23)20-16(18)25)26-17-19-13-8-5-4-7-12(13)15(24)22(17)10-6-9-21(2)3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H3,18,20,23,25)/p+1/t11-/m1/s1