N2-[(2-chlorophenyl)methyl]-N4-[7-(dimethylamino)heptyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-[(2-chlorophenyl)methyl]-N4-[7-(dimethylamino)heptyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[(2-chlorophenyl)methyl]-N4-[7-(dimethylamino)heptyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[(2-chlorophenyl)methyl]-N4-[7-(dimethylamino)heptyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[(2-chlorophenyl)methyl]-4-N-[7-(dimethylamino)heptyl]-5-nitropyrimidine-2,4-diamine Traditional Name: 7-[[2-[(2-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amino]heptyl-dimethyl-amine Formula: C20H29ClN6O2 MolecularWeight: 420.93626

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCCCNC1=NC(=NC=C1[N+](=O)[O-])NCC2=CC=CC=C2Cl

Isomeric SMILES

CN(C)CCCCCCCNC1=NC(=NC=C1[N+](=O)[O-])NCC2=CC=CC=C2Cl

InChI

InChI=1S/C20H29ClN6O2/c1-26(2)13-9-5-3-4-8-12-22-19-18(27(28)29)15-24-20(25-19)23-14-16-10-6-7-11-17(16)21/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3,(H2,22,23,24,25)