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

Systemtic Name: 5-nitro-N4-(1-phenylethyl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(1-phenylethyl)-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(1-phenylethyl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(1-phenylethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(1-phenylethylamino)pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

InChI

InChI=1S/C18H19N5O2S/c1-13(14-6-3-2-4-7-14)22-18-16(23(24)25)17(20-12-21-18)19-10-9-15-8-5-11-26-15/h2-8,11-13H,9-10H2,1H3,(H2,19,20,21,22)