N-[2-(4-chlorophenyl)ethyl]-7-(4-methylsulfonylpiperazin-1-yl)-6-nitro-quinazolin-4-amine

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-7-(4-methylsulfonylpiperazin-1-yl)-6-nitro-quinazolin-4-amine Openeye Name: N-[2-(4-chlorophenyl)ethyl]-7-(4-methylsulfonylpiperazin-1-yl)-6-nitro-quinazolin-4-amine CAS Name: N-[2-(4-chlorophenyl)ethyl]-7-(4-methylsulfonyl-1-piperazinyl)-6-nitro-4-quinazolinamine IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-7-(4-methylsulfonylpiperazin-1-yl)-6-nitroquinazolin-4-amine Traditional Name: 2-(4-chlorophenyl)ethyl-[7-(4-mesylpiperazino)-6-nitro-quinazolin-4-yl]amine Formula: C21H23ClN6O4S MolecularWeight: 490.96312

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN6O4S/c1-33(31,32)27-10-8-26(9-11-27)19-13-18-17(12-20(19)28(29)30)21(25-14-24-18)23-7-6-15-2-4-16(22)5-3-15/h2-5,12-14H,6-11H2,1H3,(H,23,24,25)