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

Systemtic Name: 5-nitro-N2-phenethyl-N4-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N4-benzyl-5-nitro-N2-phenethyl-pyrimidine-2,4,6-triamine CAS Name: 5-nitro-N2-phenethyl-N4-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 4-N-benzyl-5-nitro-2-N-phenethylpyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]-phenethyl-amine Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C19H20N6O2/c20-17-16(25(26)27)18(22-13-15-9-5-2-6-10-15)24-19(23-17)21-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H4,20,21,22,23,24)