N4-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(piperonylamino)pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCCC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCCC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4S/c24-23(25)16-17(19-6-5-13-2-1-7-28-13)21-10-22-18(16)20-9-12-3-4-14-15(8-12)27-11-26-14/h1-4,7-8,10H,5-6,9,11H2,(H2,19,20,21,22)