N4-(diphenylmethyl)-N6-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(diphenylmethyl)-N6-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-benzhydryl-N6-(2-methoxy-1-methyl-ethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(diphenylmethyl)-N6-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-benzhydryl-6-N-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzhydryl-[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H23N5O3 MolecularWeight: 393.43902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N5O3/c1-15(13-29-2)24-20-19(26(27)28)21(23-14-22-20)25-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14-15,18H,13H2,1-2H3,(H2,22,23,24,25)