N2-(3-methoxyphenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-(3-methoxyphenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-(3-methoxyphenyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine CAS Name: N2-(3-methoxyphenyl)-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(3-methoxyphenyl)-5-nitro-6-pyrrolidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-pyrrolidino-pyrimidin-2-yl)-(3-methoxyphenyl)amine Formula: C15H18N6O3 MolecularWeight: 330.34182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C15H18N6O3/c1-24-11-6-4-5-10(9-11)17-15-18-13(16)12(21(22)23)14(19-15)20-7-2-3-8-20/h4-6,9H,2-3,7-8H2,1H3,(H3,16,17,18,19)