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

Systemtic Name: 5-nitro-N6-(oxolan-2-ylmethyl)-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-5-nitro-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(2-oxolanylmethyl)-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: dibenzyl-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O3/c29-28(30)21-22(24-14-20-12-7-13-31-20)25-17-26-23(21)27(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-6,8-11,17,20H,7,12-16H2,(H,24,25,26)