6,7-dimethoxy-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine

Systemtic Name: 6,7-dimethoxy-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine Openeye Name: 6,7-dimethoxy-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine CAS Name: 6,7-dimethoxy-2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-4-quinazolinamine IUPAC Name: 6,7-dimethoxy-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]quinazolin-4-amine Traditional Name: [6,7-dimethoxy-2-[4-(2-nitrophenyl)sulfonylpiperazino]quinazolin-4-yl]amine Formula: C20H22N6O6S MolecularWeight: 474.49028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])N)OC

InChI

InChI=1S/C20H22N6O6S/c1-31-16-11-13-14(12-17(16)32-2)22-20(23-19(13)21)24-7-9-25(10-8-24)33(29,30)18-6-4-3-5-15(18)26(27)28/h3-6,11-12H,7-10H2,1-2H3,(H2,21,22,23)