N6-[(2-chlorophenyl)methyl]-N4,N4-bis(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(2-chlorophenyl)methyl]-N4,N4-bis(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(2-chlorophenyl)methyl]-N4,N4-bis(2-methoxyethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(2-chlorophenyl)methyl]-N4,N4-bis(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(2-chlorophenyl)methyl]-4-N,4-N-bis(2-methoxyethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[(2-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]-bis(2-methoxyethyl)amine Formula: C17H22ClN5O4 MolecularWeight: 395.84068

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2Cl

Isomeric SMILES

COCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2Cl

InChI

InChI=1S/C17H22ClN5O4/c1-26-9-7-22(8-10-27-2)17-15(23(24)25)16(20-12-21-17)19-11-13-5-3-4-6-14(13)18/h3-6,12H,7-11H2,1-2H3,(H,19,20,21)