5-nitro-N2-phenethyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine

Systemtic Name: 5-nitro-N2-phenethyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzyl-1-piperidyl)-5-nitro-N2-phenethyl-pyrimidine-2,4-diamine CAS Name: 5-nitro-N2-phenethyl-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-5-nitro-2-N-phenethylpyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperidino)-5-nitro-pyrimidin-2-yl]-phenethyl-amine Formula: C24H28N6O2 MolecularWeight: 432.51812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCCC4=CC=CC=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC(=N3)NCCC4=CC=CC=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C24H28N6O2/c25-22-21(30(31)32)23(28-24(27-22)26-14-11-18-7-3-1-4-8-18)29-15-12-20(13-16-29)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2,(H3,25,26,27,28)