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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-chloranyl-2-methoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-chloro-2-methoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-chloro-2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(5-chloro-2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methoxy-anilino)-5-nitro-pyrimidin-4-yl]-piperonyl-amine Formula: C19H16ClN5O5 MolecularWeight: 429.81384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN5O5/c1-28-14-5-3-12(20)7-13(14)24-19-17(25(26)27)18(22-9-23-19)21-8-11-2-4-15-16(6-11)30-10-29-15/h2-7,9H,8,10H2,1H3,(H2,21,22,23,24)