[4-(4-azanyl-7-chloranyl-6,8-dinitro-quinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-(4-azanyl-7-chloranyl-6,8-dinitro-quinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-(4-amino-7-chloro-6,8-dinitro-quinazolin-2-yl)piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-(4-amino-7-chloro-6,8-dinitro-2-quinazolinyl)-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-(4-amino-7-chloro-6,8-dinitroquinazolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-(4-amino-7-chloro-6,8-dinitro-quinazolin-2-yl)piperazino]-(2-furyl)methanone Formula: C17H14ClN7O6 MolecularWeight: 447.78936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C(=C(C=C3C(=N2)N)[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C(=C(C=C3C(=N2)N)[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C17H14ClN7O6/c18-12-10(24(27)28)8-9-13(14(12)25(29)30)20-17(21-15(9)19)23-5-3-22(4-6-23)16(26)11-2-1-7-31-11/h1-2,7-8H,3-6H2,(H2,19,20,21)