4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-(3-nitrophenyl)pyrimidin-2-amine trihydrochloride

Systemtic Name: 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-(3-nitrophenyl)pyrimidin-2-amine trihydrochloride Openeye Name: 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-(3-nitrophenyl)pyrimidin-2-amine trihydrochloride CAS Name: 4-[(3S)-3-(methylamino)-1-pyrrolidinyl]-6-(3-nitrophenyl)-2-pyrimidinamine trihydrochloride IUPAC Name: 4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-(3-nitrophenyl)pyrimidin-2-amine trihydrochloride Traditional Name: [(3S)-1-[2-amino-6-(3-nitrophenyl)pyrimidin-4-yl]pyrrolidin-3-yl]-methyl-amine trihydrochloride Formula: C15H21Cl3N6O2 MolecularWeight: 423.72524

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCN(C1)C2=NC(=NC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])N.Cl.Cl.Cl

Isomeric SMILES

CN[C@H]1CCN(C1)C2=NC(=NC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])N.Cl.Cl.Cl

InChI

InChI=1S/C15H18N6O2.3ClH/c1-17-11-5-6-20(9-11)14-8-13(18-15(16)19-14)10-3-2-4-12(7-10)21(22)23;;;/h2-4,7-8,11,17H,5-6,9H2,1H3,(H2,16,18,19);3*1H/t11-;;;/m0.../s1