5-nitro-N4-(phenylmethyl)-N2-prop-2-enyl-pyrimidine-2,4,6-triamine

Systemtic Name: 5-nitro-N4-(phenylmethyl)-N2-prop-2-enyl-pyrimidine-2,4,6-triamine Openeye Name: N2-allyl-N4-benzyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: 5-nitro-N4-(phenylmethyl)-N2-prop-2-enylpyrimidine-2,4,6-triamine IUPAC Name: 4-N-benzyl-5-nitro-2-N-prop-2-enylpyrimidine-2,4,6-triamine Traditional Name: allyl-[4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]amine Formula: C14H16N6O2 MolecularWeight: 300.31584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

C=CCNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C14H16N6O2/c1-2-8-16-14-18-12(15)11(20(21)22)13(19-14)17-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H4,15,16,17,18,19)