5-nitro-N4-(oxolan-2-ylmethyl)-N6-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(oxolan-2-ylmethyl)-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-5-nitro-N4-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(2-oxolanylmethyl)-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C16H19N5O3/c22-21(23)14-15(17-9-12-5-2-1-3-6-12)19-11-20-16(14)18-10-13-7-4-8-24-13/h1-3,5-6,11,13H,4,7-10H2,(H2,17,18,19,20)