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

Systemtic Name: 5-nitro-N4-(phenylmethyl)-2-pyrrolidin-1-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-2-pyrrolidin-1-yl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(phenylmethyl)-2-(1-pyrrolidinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-2-pyrrolidin-1-ylpyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-2-pyrrolidino-pyrimidin-4-yl)-benzyl-amine Formula: C15H18N6O2 MolecularWeight: 314.34242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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