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

Systemtic Name: 3-[2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[2-(cyclopentylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCC3

Isomeric SMILES

C[NH+](C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3CCCC3

InChI

InChI=1S/C20H28N4O2S/c1-23(2)12-7-13-24-19(26)16-10-5-6-11-17(16)22-20(24)27-14-18(25)21-15-8-3-4-9-15/h5-6,10-11,15H,3-4,7-9,12-14H2,1-2H3,(H,21,25)/p+1