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

Systemtic Name: N6-(3-methoxypropyl)-5-nitro-N4-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N6-(3-methoxypropyl)-5-nitro-N4-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N6-(3-methoxypropyl)-5-nitro-N4-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methoxypropyl)-5-nitro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: 3-methoxypropyl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C14H19N5O3S MolecularWeight: 337.39736

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CS2

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CS2

InChI

InChI=1S/C14H19N5O3S/c1-22-8-3-6-15-13-12(19(20)21)14(18-10-17-13)16-7-5-11-4-2-9-23-11/h2,4,9-10H,3,5-8H2,1H3,(H2,15,16,17,18)