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

Systemtic Name: N4-(4-methoxyphenyl)-5-nitro-2-pyrrolidin-1-yl-pyrimidine-4,6-diamine Openeye Name: N4-(4-methoxyphenyl)-5-nitro-2-pyrrolidin-1-yl-pyrimidine-4,6-diamine CAS Name: N4-(4-methoxyphenyl)-5-nitro-2-(1-pyrrolidinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methoxyphenyl)-5-nitro-2-pyrrolidin-1-ylpyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-2-pyrrolidino-pyrimidin-4-yl)-(4-methoxyphenyl)amine Formula: C15H18N6O3 MolecularWeight: 330.34182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCCC3

InChI

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