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

Systemtic Name: 5-nitro-N2-(phenylmethyl)-6-piperidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-benzyl-5-nitro-6-(1-piperidyl)pyrimidine-2,4-diamine CAS Name: 5-nitro-N2-(phenylmethyl)-6-(1-piperidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-benzyl-5-nitro-6-piperidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-piperidino-pyrimidin-2-yl)-benzyl-amine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O2/c17-14-13(22(23)24)15(21-9-5-2-6-10-21)20-16(19-14)18-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H3,17,18,19,20)