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

Systemtic Name: 5-nitro-N2-(phenylmethyl)-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-benzyl-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine CAS Name: 5-nitro-N2-(phenylmethyl)-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-benzyl-5-nitro-6-pyrrolidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-pyrrolidino-pyrimidin-2-yl)-benzyl-amine Formula: C15H18N6O2 MolecularWeight: 314.34242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC(=N2)NCC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O2/c16-13-12(21(22)23)14(20-8-4-5-9-20)19-15(18-13)17-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H3,16,17,18,19)