N4-(2-chloranylpyridin-3-yl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-chloranylpyridin-3-yl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-chloro-3-pyridyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-chloro-3-pyridinyl)-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-chloropyridin-3-yl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chloro-3-pyridyl)-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H19ClN6O4 MolecularWeight: 430.84496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl)OC

InChI

InChI=1S/C19H19ClN6O4/c1-29-14-6-5-12(10-15(14)30-2)7-9-22-18-16(26(27)28)19(24-11-23-18)25-13-4-3-8-21-17(13)20/h3-6,8,10-11H,7,9H2,1-2H3,(H2,22,23,24,25)