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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4

InChI

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