N-[[3,4-bis(fluoranyl)phenyl]methyl]-6-nitro-7-piperazin-1-yl-quinazolin-2-amine

Systemtic Name: N-[[3,4-bis(fluoranyl)phenyl]methyl]-6-nitro-7-piperazin-1-yl-quinazolin-2-amine Openeye Name: N-[(3,4-difluorophenyl)methyl]-6-nitro-7-piperazin-1-yl-quinazolin-2-amine CAS Name: N-[(3,4-difluorophenyl)methyl]-6-nitro-7-(1-piperazinyl)-2-quinazolinamine IUPAC Name: N-[(3,4-difluorophenyl)methyl]-6-nitro-7-piperazin-1-ylquinazolin-2-amine Traditional Name: (3,4-difluorobenzyl)-(6-nitro-7-piperazino-quinazolin-2-yl)amine Formula: C19H18F2N6O2 MolecularWeight: 400.382026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C=NC(=NC3=C2)NCC4=CC(=C(C=C4)F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C=NC(=NC3=C2)NCC4=CC(=C(C=C4)F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F2N6O2/c20-14-2-1-12(7-15(14)21)10-23-19-24-11-13-8-18(27(28)29)17(9-16(13)25-19)26-5-3-22-4-6-26/h1-2,7-9,11,22H,3-6,10H2,(H,23,24,25)