5-nitro-N4-(phenylmethyl)-2-piperidin-1-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(phenylmethyl)-2-piperidin-1-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-2-(1-piperidyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(phenylmethyl)-2-(1-piperidinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-2-piperidin-1-ylpyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-2-piperidino-pyrimidin-4-yl)-benzyl-amine Formula: C16H20N6O2 MolecularWeight: 328.369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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