N4-[3,4-bis(fluoranyl)phenyl]-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N4-[3,4-bis(fluoranyl)phenyl]-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(3,4-difluorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,4-difluorophenyl)-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-difluorophenyl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(3,4-difluoroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C13H11F2N5O2 MolecularWeight: 307.255546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)F)F

Isomeric SMILES

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C13H11F2N5O2/c1-2-5-16-12-11(20(21)22)13(18-7-17-12)19-8-3-4-9(14)10(15)6-8/h2-4,6-7H,1,5H2,(H2,16,17,18,19)