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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C17H15N5O4S MolecularWeight: 385.3971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NCCC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NCCC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S/c23-22(24)15-16(18-6-5-12-2-1-7-27-12)19-9-20-17(15)21-11-3-4-13-14(8-11)26-10-25-13/h1-4,7-9H,5-6,10H2,(H2,18,19,20,21)