N6-(1,3-benzodioxol-5-yl)-N4-(5-chloranyl-2-methoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-chloranyl-2-methoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-chloro-2-methoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-chloro-2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(5-chloro-2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(5-chloro-2-methoxy-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H14ClN5O5 MolecularWeight: 415.78726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14ClN5O5/c1-27-13-4-2-10(19)6-12(13)23-18-16(24(25)26)17(20-8-21-18)22-11-3-5-14-15(7-11)29-9-28-14/h2-8H,9H2,1H3,(H2,20,21,22,23)