N2-(3,4-dichlorophenyl)-N4-[4-(dimethylamino)butyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(3,4-dichlorophenyl)-N4-[4-(dimethylamino)butyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(3,4-dichlorophenyl)-N4-[4-(dimethylamino)butyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(3,4-dichlorophenyl)-N4-[4-(dimethylamino)butyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(3,4-dichlorophenyl)-4-N-[4-(dimethylamino)butyl]-5-nitropyrimidine-2,4-diamine Traditional Name: 4-[[2-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]amino]butyl-dimethyl-amine Formula: C16H20Cl2N6O2 MolecularWeight: 399.275

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CN(C)CCCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H20Cl2N6O2/c1-23(2)8-4-3-7-19-15-14(24(25)26)10-20-16(22-15)21-11-5-6-12(17)13(18)9-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,19,20,21,22)