N6-butyl-N4-(2-chloranylpyridin-3-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-(2-chloranylpyridin-3-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(2-chloro-3-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(2-chloro-3-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(2-chloropyridin-3-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C13H15ClN6O2 MolecularWeight: 322.7502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN6O2/c1-2-3-6-16-12-10(20(21)22)13(18-8-17-12)19-9-5-4-7-15-11(9)14/h4-5,7-8H,2-3,6H2,1H3,(H2,16,17,18,19)