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

Systemtic Name: N4-(4-ethoxyphenyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-ethoxyphenyl)-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(4-ethoxyphenyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-ethoxyphenyl)-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(p-phenetidino)pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O3S/c1-2-26-14-7-5-13(6-8-14)22-18-16(23(24)25)17(20-12-21-18)19-10-9-15-4-3-11-27-15/h3-8,11-12H,2,9-10H2,1H3,(H2,19,20,21,22)