N-ethyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-quinazolin-4-amine

Systemtic Name: N-ethyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-quinazolin-4-amine Openeye Name: N-ethyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-quinazolin-4-amine CAS Name: N-ethyl-2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-4-quinazolinamine IUPAC Name: N-ethyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanylquinazolin-4-amine Traditional Name: ethyl-[2-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]quinazolin-4-yl]amine Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S2/c1-2-21-19-15-7-3-4-8-16(15)22-20(23-19)30-18-10-9-14(13-17(18)25(26)27)31(28,29)24-11-5-6-12-24/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,22,23)