2-[2-[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[2-[2-(methylcarbamoylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl]ammonium CAS Name: 2-[2-[[2-(methylcarbamoylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[2-(methylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[4-keto-2-[[2-keto-2-(methylcarbamoylamino)ethyl]thio]quinazolin-3-yl]ethyl]ammonium Formula: C20H30N5O3S+ MolecularWeight: 420.5489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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