3-[2-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: dimethyl-[3-[2-[2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl]ammonium CAS Name: 3-[2-[[2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[4-keto-2-[[2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl]thio]quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C20H30N5O3S+ MolecularWeight: 420.5489

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC[NH+](C)C

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC[NH+](C)C

InChI

InChI=1S/C20H29N5O3S/c1-5-14(2)21-19(28)23-17(26)13-29-20-22-16-10-7-6-9-15(16)18(27)25(20)12-8-11-24(3)4/h6-7,9-10,14H,5,8,11-13H2,1-4H3,(H2,21,23,26,28)/p+1/t14-/m0/s1