[4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-yl] thiophene-2-carboxylate

Systemtic Name: [4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-yl] thiophene-2-carboxylate Openeye Name: [4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4,6-dimethyl-2-(2-phenylhexylamino)-5-pyrimidinyl] ester IUPAC Name: [4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4,6-dimethyl-2-(2-phenylhexylamino)pyrimidin-5-yl] ester Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC1=NC(=C(C(=N1)C)OC(=O)C2=CC=CS2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCC(CNC1=NC(=C(C(=N1)C)OC(=O)C2=CC=CS2)C)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-4-5-10-19(18-11-7-6-8-12-18)15-24-23-25-16(2)21(17(3)26-23)28-22(27)20-13-9-14-29-20/h6-9,11-14,19H,4-5,10,15H2,1-3H3,(H,24,25,26)