N4-[(4-aminophenyl)methyl]-N2-(4-chlorophenyl)-N4-(2-methoxyethyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[(4-aminophenyl)methyl]-N2-(4-chlorophenyl)-N4-(2-methoxyethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[(4-aminophenyl)methyl]-N2-(4-chlorophenyl)-N4-(2-methoxyethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[(4-aminophenyl)methyl]-N2-(4-chlorophenyl)-N4-(2-methoxyethyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[(4-aminophenyl)methyl]-2-N-(4-chlorophenyl)-4-N-(2-methoxyethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: (4-aminobenzyl)-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(2-methoxyethyl)amine Formula: C20H21ClN6O3 MolecularWeight: 428.87214

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=C(C=C1)N)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

COCCN(CC1=CC=C(C=C1)N)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN6O3/c1-30-11-10-26(13-14-2-6-16(22)7-3-14)19-18(27(28)29)12-23-20(25-19)24-17-8-4-15(21)5-9-17/h2-9,12H,10-11,13,22H2,1H3,(H,23,24,25)