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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[5-nitro-6-(o-anisidino)pyrimidin-4-yl]amine Formula: C18H15N5O5 MolecularWeight: 381.3422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H15N5O5/c1-26-13-5-3-2-4-12(13)22-18-16(23(24)25)17(19-9-20-18)21-11-6-7-14-15(8-11)28-10-27-14/h2-9H,10H2,1H3,(H2,19,20,21,22)