N2-[2-[(5-nitropyridin-2-yl)amino]ethyl]-N4-(phenylmethyl)pyrimidine-2,4-diamine

Systemtic Name: N2-[2-[(5-nitropyridin-2-yl)amino]ethyl]-N4-(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N4-benzyl-N2-[2-[(5-nitro-2-pyridyl)amino]ethyl]pyrimidine-2,4-diamine CAS Name: N2-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-N4-(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-benzyl-2-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]pyrimidine-2,4-diamine Traditional Name: benzyl-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]amine Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC=C2)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC=C2)NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N7O2/c26-25(27)15-6-7-16(23-13-15)19-10-11-21-18-20-9-8-17(24-18)22-12-14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,19,23)(H2,20,21,22,24)