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

Systemtic Name: N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(5-methylisoxazol-3-yl)-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(5-methyl-3-isoxazolyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: (5-methylisoxazol-3-yl)-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C14H14N6O3S MolecularWeight: 346.36436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N6O3S/c1-9-7-11(19-23-9)18-14-12(20(21)22)13(16-8-17-14)15-5-4-10-3-2-6-24-10/h2-3,6-8H,4-5H2,1H3,(H2,15,16,17,18,19)