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

Systemtic Name: N4-(2-methoxyethyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(2-methoxyethyl)-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(2-methoxyethyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methoxyethyl)-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: 2-methoxyethyl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CS2

Isomeric SMILES

COCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CS2

InChI

InChI=1S/C13H17N5O3S/c1-21-7-6-15-13-11(18(19)20)12(16-9-17-13)14-5-4-10-3-2-8-22-10/h2-3,8-9H,4-7H2,1H3,(H2,14,15,16,17)