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

Systemtic Name: N6-(3-morpholin-4-ylpropyl)-5-nitro-N4-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N6-(3-morpholinopropyl)-5-nitro-N4-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N6-[3-(4-morpholinyl)propyl]-5-nitro-N4-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-morpholin-4-ylpropyl)-5-nitro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: 3-morpholinopropyl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C17H24N6O3S MolecularWeight: 392.47586

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

Isomeric SMILES

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

InChI

InChI=1S/C17H24N6O3S/c24-23(25)15-16(18-5-2-7-22-8-10-26-11-9-22)20-13-21-17(15)19-6-4-14-3-1-12-27-14/h1,3,12-13H,2,4-11H2,(H2,18,19,20,21)