5-nitro-N2-phenethyl-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: 5-nitro-N2-phenethyl-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine Openeye Name: 5-nitro-N2-phenethyl-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine CAS Name: 5-nitro-N2-phenethyl-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine IUPAC Name: 5-nitro-2-N-phenethyl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-pyrrolidino-pyrimidin-2-yl)-phenethyl-amine Formula: C16H20N6O2 MolecularWeight: 328.369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

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