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

Systemtic Name: 2-[2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[[2-(cyclopentylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCC3)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCC3)C(C)C

InChI

InChI=1S/C23H34N4O2S/c1-16(2)26(17(3)4)13-14-27-22(29)19-11-7-8-12-20(19)25-23(27)30-15-21(28)24-18-9-5-6-10-18/h7-8,11-12,16-18H,5-6,9-10,13-15H2,1-4H3,(H,24,28)/p+1