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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amine Formula: C19H17N5O5 MolecularWeight: 395.36878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17N5O5/c1-27-14-5-2-12(3-6-14)9-20-18-17(24(25)26)19(22-10-21-18)23-13-4-7-15-16(8-13)29-11-28-15/h2-8,10H,9,11H2,1H3,(H2,20,21,22,23)