N4-[[3,4-bis(fluoranyl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N4-[[3,4-bis(fluoranyl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine Openeye Name: N4-[(3,4-difluorophenyl)methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N4-[(3,4-difluorophenyl)methyl]-N7-ethyl-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-[(3,4-difluorophenyl)methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: (3,4-difluorobenzyl)-[7-(ethylamino)-6-nitro-quinazolin-4-yl]amine Formula: C17H15F2N5O2 MolecularWeight: 359.330106

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC(=C(C=C3)F)F)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC(=C(C=C3)F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15F2N5O2/c1-2-20-15-7-14-11(6-16(15)24(25)26)17(23-9-22-14)21-8-10-3-4-12(18)13(19)5-10/h3-7,9,20H,2,8H2,1H3,(H,21,22,23)