6-ethyl-5-nitro-N2,N2-bis(phenylmethyl)pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-nitro-N2,N2-bis(phenylmethyl)pyrimidine-2,4-diamine Openeye Name: N2,N2-dibenzyl-6-ethyl-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-nitro-N2,N2-bis(phenylmethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N,2-N-dibenzyl-6-ethyl-5-nitropyrimidine-2,4-diamine Traditional Name: (4-amino-6-ethyl-5-nitro-pyrimidin-2-yl)-dibenzyl-amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O2/c1-2-17-18(25(26)27)19(21)23-20(22-17)24(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H2,21,22,23)