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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-benzyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-benzyl-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-methyl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N5O4/c1-24(11-14-5-3-2-4-6-14)20-18(25(26)27)19(22-12-23-20)21-10-15-7-8-16-17(9-15)29-13-28-16/h2-9,12H,10-11,13H2,1H3,(H,21,22,23)