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

Systemtic Name: 5-nitro-N4-(4-propan-2-ylphenyl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-isopropylphenyl)-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(4-propan-2-ylphenyl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(4-propan-2-ylphenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-[2-(2-thienyl)ethyl]amine Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2S/c1-13(2)14-5-7-15(8-6-14)23-19-17(24(25)26)18(21-12-22-19)20-10-9-16-4-3-11-27-16/h3-8,11-13H,9-10H2,1-2H3,(H2,20,21,22,23)