N2-(4-chlorophenyl)-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-(4-chlorophenyl)-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(4-chlorophenyl)-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(4-chlorophenyl)-N4-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C18H17ClN6O3 MolecularWeight: 400.81898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN6O3/c1-2-28-14-9-7-12(8-10-14)21-17-15(25(26)27)16(20)23-18(24-17)22-13-5-3-11(19)4-6-13/h3-10H,2H2,1H3,(H4,20,21,22,23,24)