ethyl N-[[6-(4-methylpiperazin-1-yl)-7-nitro-2-oxidanylidene-1H-quinazolin-4-yl]amino]carbamate

Systemtic Name: ethyl N-[[6-(4-methylpiperazin-1-yl)-7-nitro-2-oxidanylidene-1H-quinazolin-4-yl]amino]carbamate Openeye Name: ethyl N-[[6-(4-methylpiperazin-1-yl)-7-nitro-2-oxo-1H-quinazolin-4-yl]amino]carbamate CAS Name: N-[[6-(4-methyl-1-piperazinyl)-7-nitro-2-oxo-1H-quinazolin-4-yl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[6-(4-methylpiperazin-1-yl)-7-nitro-2-oxo-1H-quinazolin-4-yl]amino]carbamate Traditional Name: N-[[2-keto-6-(4-methylpiperazino)-7-nitro-1H-quinazolin-4-yl]amino]carbamic acid ethyl ester Formula: C16H21N7O5 MolecularWeight: 391.38184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NNC1=NC(=O)NC2=CC(=C(C=C21)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NNC1=NC(=O)NC2=CC(=C(C=C21)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N7O5/c1-3-28-16(25)20-19-14-10-8-12(22-6-4-21(2)5-7-22)13(23(26)27)9-11(10)17-15(24)18-14/h8-9H,3-7H2,1-2H3,(H,20,25)(H2,17,18,19,24)