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

Systemtic Name: N4-(3,4-dichlorophenyl)-N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3,4-dichlorophenyl)-N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,4-dichlorophenyl)-N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-dichlorophenyl)-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amine Formula: C18H13Cl2N5O4 MolecularWeight: 434.23292

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)NC4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)NC4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13Cl2N5O4/c19-12-3-1-10(7-13(12)20)23-17-16(25(26)27)18(22-9-21-17)24-11-2-4-14-15(8-11)29-6-5-28-14/h1-4,7-9H,5-6H2,(H2,21,22,23,24)