N6-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(5-methylisoxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(5-methyl-3-isoxazolyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O3/c1-16-12-19(26-31-16)25-21-20(28(29)30)22(24-15-23-21)27(13-17-8-4-2-5-9-17)14-18-10-6-3-7-11-18/h2-12,15H,13-14H2,1H3,(H,23,24,25,26)