N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-5-nitro-N4-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: 3-imidazol-1-ylpropyl-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amine Formula: C15H21N7O3 MolecularWeight: 347.37234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC2=C(C(=NC=N2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H21N7O3/c23-22(24)13-14(17-4-2-6-21-7-5-16-11-21)19-10-20-15(13)18-9-12-3-1-8-25-12/h5,7,10-12H,1-4,6,8-9H2,(H2,17,18,19,20)