N4-(5-chloranyl-2-methyl-phenyl)-N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCCO4

InChI

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