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

Systemtic Name: N2-[(4-chlorophenyl)methyl]-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-[(4-chlorophenyl)methyl]-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[(4-chlorophenyl)methyl]-N4-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-[(4-chlorophenyl)methyl]-4-N-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C19H19ClN6O3 MolecularWeight: 414.84556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN6O3/c1-2-29-15-9-7-14(8-10-15)23-18-16(26(27)28)17(21)24-19(25-18)22-11-12-3-5-13(20)6-4-12/h3-10H,2,11H2,1H3,(H4,21,22,23,24,25)