2-[2-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[2-[2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl]ammonium CAS Name: 2-[2-[[2-(2-methyl-6-nitroanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[4-keto-2-[[2-keto-2-(2-methyl-6-nitro-anilino)ethyl]thio]quinazolin-3-yl]ethyl]ammonium Formula: C25H32N5O4S+ MolecularWeight: 498.61768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC[NH+](C(C)C)C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C25H31N5O4S/c1-16(2)28(17(3)4)13-14-29-24(32)19-10-6-7-11-20(19)26-25(29)35-15-22(31)27-23-18(5)9-8-12-21(23)30(33)34/h6-12,16-17H,13-15H2,1-5H3,(H,27,31)/p+1