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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-chloranyl-2-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-chloro-2-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-chloro-2-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(5-chloro-2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-piperonyl-amine Formula: C19H16ClN5O4 MolecularWeight: 413.81444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN5O4/c1-11-2-4-13(20)7-14(11)24-19-17(25(26)27)18(22-9-23-19)21-8-12-3-5-15-16(6-12)29-10-28-15/h2-7,9H,8,10H2,1H3,(H2,21,22,23,24)