N4-cyclopropyl-5-nitro-N2-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-5-nitro-N2-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-5-nitro-N2-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-5-nitro-N2-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-5-nitro-2-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]pyrimidine-2,4-diamine Traditional Name: cyclopropyl-[5-nitro-2-[(6-pyrrolidino-3-pyridyl)methylamino]pyrimidin-4-yl]amine Formula: C17H21N7O2 MolecularWeight: 355.39434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)CNC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)CNC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C17H21N7O2/c25-24(26)14-11-20-17(22-16(14)21-13-4-5-13)19-10-12-3-6-15(18-9-12)23-7-1-2-8-23/h3,6,9,11,13H,1-2,4-5,7-8,10H2,(H2,19,20,21,22)