N6-[2,3-bis(chloranyl)phenyl]-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[2,3-bis(chloranyl)phenyl]-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,3-dichlorophenyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,3-dichlorophenyl)-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,3-dichlorophenyl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,3-dichloroanilino)-5-nitro-pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C15H17Cl2N7O2 MolecularWeight: 398.24718

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C15H17Cl2N7O2/c1-22-5-7-23(8-6-22)21-15-13(24(25)26)14(18-9-19-15)20-11-4-2-3-10(16)12(11)17/h2-4,9H,5-8H2,1H3,(H2,18,19,20,21)